Name: Name:Cc0651
Brand: AABLOCKS
SKU: AA009C7I
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA009C7I

Chemical Name: Cc0651

CAS Number: 1319207-44-7

Molecular Formula: C20H21Cl2NO6

Molecular Weight: 442.2898

MDL Number: MFCD25976705

SMILES: COCC(=O)N[C@H]([C@@H]([C@H](C(=O)O)O)O)Cc1ccc(cc1)c1cc(Cl)cc(c1)Cl

Properties

Complexity: 533

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 3

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 29

Hydrogen Bond Acceptor Count: 6

Hydrogen Bond Donor Count: 4

Isotope Atom Count: 0

Rotatable Bond Count: 9

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 2.7

Literature fold

Title: An allosteric inhibitor of the human Cdc34 ubiquitin-conjugating enzyme.

Journal: Cell20110624

Title: Ceccarelli DF, et al. An allosteric inhibitor of the human Cdc34 ubiquitin-conjugating enzyme. Cell. 2011 Jun 24;145(7):1075-87.

Title: Huang H, et al. E2 enzyme inhibition by stabilization of a low-affinity interface with ubiquitin. Nat Chem Biol. 2014 Feb;10(2):156-63.

1319207-44-7 | Cc0651