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Home Amines 330829-30-6
330829-30-6,MFCD02734587
Catalog No.:AA00CN7W

330829-30-6 | N-[[[3-[(Benzoyl)amino]phenyl]amino](thioxo)methyl]-3,4,5-trimethoxybenzamide

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥98%
in stock  
$49.00   $34.00
- +
5mg
≥98%
in stock  
$143.00   $100.00
- +
10mg
≥98%
in stock  
$238.00   $166.00
- +
25mg
98% by HPLC
in stock  
$528.00   $370.00
- +
50mg
98% by HPLC
in stock  
$854.00   $598.00
- +
100mg
98% by HPLC
in stock  
$1,431.00   $1,002.00
- +
500mg
98% by HPLC
in stock  
$4,477.00   $3,134.00
- +
1000mg
98% by HPLC
in stock  
$7,126.00   $4,988.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00CN7W
Chemical Name:
N-[[[3-[(Benzoyl)amino]phenyl]amino](thioxo)methyl]-3,4,5-trimethoxybenzamide
CAS Number:
330829-30-6
Molecular Formula:
C24H23N3O5S
Molecular Weight:
465.5215
MDL Number:
MFCD02734587
SMILES:
COc1cc(cc(c1OC)OC)C(=O)NC(=S)Nc1cccc(c1)NC(=O)c1ccccc1
Properties
Computed Properties
 
Complexity:
659  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
7  
XLogP3:
4.3  

Downstream Synthesis Route

[1]MolecularPharmacology,2010,vol.78,p.658-665

[1]JournalofMedicinalChemistry,2012,vol.55,p.1559-1571

Literature

Title: Acylthiourea, acylurea, and acylguanidine derivatives with potent hedgehog inhibiting activity.

Journal: Journal of medicinal chemistry 20120223

Title: Virtual screening-based discovery and mechanistic characterization of the acylthiourea MRT-10 family as smoothened antagonists.

Journal: Molecular pharmacology 20101001

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SDS
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Tags:330829-30-6 Molecular Formula|330829-30-6 MDL|330829-30-6 SMILES|330829-30-6 N-[[[3-[(Benzoyl)amino]phenyl]amino](thioxo)methyl]-3,4,5-trimethoxybenzamide