K653-0183 Screening compound: 1-(4-chlorobenzenesulfonyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole

K653-0183 Screening compound: 1-(4-chlorobenzenesulfonyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole
K653-0183 Screening compound: 1-(4-chlorobenzenesulfonyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound K653-0183
1-(4-chlorobenzenesulfonyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole

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

K653-0183

Molecular Formula

C20H14ClN3O4S2 (C20 H14 ClN3 O4 S2)

Compound Name

1-(4-chlorobenzenesulfonyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole

IUPAC name

1-(4-chlorobenzenesulfonyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-1H-13-benzodiazole

SMILES

[O-][N+](c1cccc(CSc2nc(cccc3)c3n2S(c(cc2)ccc2Cl)(=O)=O)c1)=O

InChI

InChI=1S/C20H14ClN3O4S2/c21-15-8-10-17(11-9-15)30(27,28)23-19-7-2-1-6-18(19)22-20(23)29-13-14-4-3-5-16(12-14)24(25)26/h1-12H,13H2

InChI Key

KFDYVNAXRYGIIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02652612

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.93

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.643

Distribution Coefficient, logD

5.643

Water Solubility, LogSw

-6.10

Polar Surface Area

70.245

Acid Dissociation Constant (pKa)

24.63

Base Dissociation Constant (pKb)

0.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

K653-0183 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with K653-0183 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K653-0183?
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What is the minimum amount of K653-0183 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K653-0183
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K653-0183
  • 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 K653-0183 available by request