K653-0431 Screening compound: 1-(4-chlorophenyl)-2-{[1-(4-methoxybenzenesulfonyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}ethan-1-one

K653-0431 Screening compound: 1-(4-chlorophenyl)-2-{[1-(4-methoxybenzenesulfonyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}ethan-1-one
K653-0431 Screening compound: 1-(4-chlorophenyl)-2-{[1-(4-methoxybenzenesulfonyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K653-0431
1-(4-chlorophenyl)-2-{[1-(4-methoxybenzenesulfonyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}ethan-1-one

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

K653-0431

Molecular Formula

C22H17ClN2O4S2 (C22 H17 ClN2 O4 S2)

Compound Name

1-(4-chlorophenyl)-2-{[1-(4-methoxybenzenesulfonyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}ethan-1-one

IUPAC name

1-(4-chlorophenyl)-2-{[1-(4-methoxybenzenesulfonyl)-1H-13-benzodiazol-2-yl]sulfanyl}ethan-1-one

SMILES

COc(cc1)ccc1S(n1c(SCC(c(cc2)ccc2Cl)=O)nc2c1cccc2)(=O)=O

InChI

InChI=1S/C22H17ClN2O4S2/c1-29-17-10-12-18(13-11-17)31(27,28)25-20-5-3-2-4-19(20)24-22(25)30-14-21(26)15-6-8-16(23)9-7-15/h2-13H,14H2,1H3

InChI Key

LRFXELKKIUUMPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02652675

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.97

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.288

Distribution Coefficient, logD

5.288

Water Solubility, LogSw

-5.96

Polar Surface Area

57.655

Acid Dissociation Constant (pKa)

17.13

Base Dissociation Constant (pKb)

0.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

K653-0431 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with K653-0431 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K653-0431?
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What is the minimum amount of K653-0431 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K653-0431
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K653-0431
  • 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 K653-0431 available by request