K653-0563 Screening compound: 2-{[1-(4-chlorobenzenesulfonyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}-N-(2-phenylethyl)acetamide

K653-0563 Screening compound: 2-{[1-(4-chlorobenzenesulfonyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}-N-(2-phenylethyl)acetamide
K653-0563 Screening compound: 2-{[1-(4-chlorobenzenesulfonyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}-N-(2-phenylethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K653-0563
2-{[1-(4-chlorobenzenesulfonyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}-N-(2-phenylethyl)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

K653-0563

Molecular Formula

C23H20ClN3O3S2 (C23 H20 ClN3 O3 S2)

Compound Name

2-{[1-(4-chlorobenzenesulfonyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}-N-(2-phenylethyl)acetamide

IUPAC name

2-{[1-(4-chlorobenzenesulfonyl)-1H-13-benzodiazol-2-yl]sulfanyl}-N-(2-phenylethyl)acetamide

SMILES

O=C(CSc1nc(cccc2)c2n1S(c(cc1)ccc1Cl)(=O)=O)NCCc1ccccc1

InChI

InChI=1S/C23H20ClN3O3S2/c24-18-10-12-19(13-11-18)32(29,30)27-21-9-5-4-8-20(21)26-23(27)31-16-22(28)25-15-14-17-6-2-1-3-7-17/h1-13H,14-16H2,(H,25,28)

InChI Key

GDEFZYZCPQWCAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02652705

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.01

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.634

Distribution Coefficient, logD

4.634

Water Solubility, LogSw

-4.99

Polar Surface Area

61.177

Acid Dissociation Constant (pKa)

14.69

Base Dissociation Constant (pKb)

0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

K653-0563 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with K653-0563 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K653-0563?
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What is the minimum amount of K653-0563 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K653-0563
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K653-0563
  • 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 K653-0563 available by request