6646-0062 Screening compound: 2-{2-[(2-amino-2-oxoethyl)sulfonyl]-1H-1,3-benzimidazol-1-yl}-N~1~-(2,6-dimethylphenyl)acetamide

6646-0062 Screening compound: 2-{2-[(2-amino-2-oxoethyl)sulfonyl]-1H-1,3-benzimidazol-1-yl}-N~1~-(2,6-dimethylphenyl)acetamide
6646-0062 Screening compound: 2-{2-[(2-amino-2-oxoethyl)sulfonyl]-1H-1,3-benzimidazol-1-yl}-N~1~-(2,6-dimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6646-0062
2-{2-[(2-amino-2-oxoethyl)sulfonyl]-1H-1,3-benzimidazol-1-yl}-N~1~-(2,6-dimethylphenyl)acetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

6646-0062

Molecular Formula

C19H20N4O4S (C19 H20 N4 O4 S)

Compound Name

2-{2-[(2-amino-2-oxoethyl)sulfonyl]-1H-1,3-benzimidazol-1-yl}-N~1~-(2,6-dimethylphenyl)acetamide

IUPAC name

2-[(1-{[(26-dimethylphenyl)carbamoyl]methyl}-1H-13-benzodiazol-2-yl)sulfonyl]acetamide

SMILES

Cc1cccc(C)c1NC(Cn1c(S(CC(N)=O)(=O)=O)nc2c1cccc2)=O

InChI

InChI=1S/C19H20N4O4S/c1-12-6-5-7-13(2)18(12)22-17(25)10-23-15-9-4-3-8-14(15)21-19(23)28(26,27)11-16(20)24/h3-9H,10-11H2,1-2H3,(H2,20,24)(H,22,25)

InChI Key

WISSMSGYNXRTJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03820002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.550

Distribution Coefficient, logD

1.550

Water Solubility, LogSw

-2.36

Polar Surface Area

95.298

Acid Dissociation Constant (pKa)

11.93

Base Dissociation Constant (pKb)

-3.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.05

6646-0062 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6646-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6646-0062?
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What is the minimum amount of 6646-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6646-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6646-0062
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 6646-0062 available by request