K653-0301 Screening compound: 2-{[1-(4-bromobenzenesulfonyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}-N-cyclohexylacetamide

K653-0301 Screening compound: 2-{[1-(4-bromobenzenesulfonyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}-N-cyclohexylacetamide
K653-0301 Screening compound: 2-{[1-(4-bromobenzenesulfonyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}-N-cyclohexylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K653-0301
2-{[1-(4-bromobenzenesulfonyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}-N-cyclohexylacetamide

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

K653-0301

Molecular Formula

C21H22BrN3O3S2 (C21 H22 BrN3 O3 S2)

Compound Name

2-{[1-(4-bromobenzenesulfonyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}-N-cyclohexylacetamide

IUPAC name

2-{[1-(4-bromobenzenesulfonyl)-1H-13-benzodiazol-2-yl]sulfanyl}-N-cyclohexylacetamide

SMILES

O=C(CSc1nc(cccc2)c2n1S(c(cc1)ccc1Br)(=O)=O)NC1CCCCC1

InChI

InChI=1S/C21H22BrN3O3S2/c22-15-10-12-17(13-11-15)30(27,28)25-19-9-5-4-8-18(19)24-21(25)29-14-20(26)23-16-6-2-1-3-7-16/h4-5,8-13,16H,1-3,6-7,14H2,(H,23,26)

InChI Key

PZQUGAJXEYQYEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02652640

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.314

Distribution Coefficient, logD

5.314

Water Solubility, LogSw

-5.41

Polar Surface Area

61.061

Acid Dissociation Constant (pKa)

15.79

Base Dissociation Constant (pKb)

1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

K653-0301 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with K653-0301 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K653-0301?
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What is the minimum amount of K653-0301 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K653-0301
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K653-0301
  • 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 K653-0301 available by request