K781-1046 Screening compound: 2-{[1-(4-chlorobenzenesulfonyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide

K781-1046 Screening compound: 2-{[1-(4-chlorobenzenesulfonyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide
K781-1046 Screening compound: 2-{[1-(4-chlorobenzenesulfonyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-1046
2-{[1-(4-chlorobenzenesulfonyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}-N-(4-acetamidophenyl)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

K781-1046

Molecular Formula

C23H19ClN4O4S2 (C23 H19 ClN4 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(Nc(cc1)ccc1NC(CSc1nc(cccc2)c2n1S(c(cc1)ccc1Cl)(=O)=O)=O)=O

InChI

InChI=1S/C23H19ClN4O4S2/c1-15(29)25-17-8-10-18(11-9-17)26-22(30)14-33-23-27-20-4-2-3-5-21(20)28(23)34(31,32)19-12-6-16(24)7-13-19/h2-13H,14H2,1H3,(H,25,29)(H,26,30)

InChI Key

PNZAZLSECMSMOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02652995

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.01

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.380

Distribution Coefficient, logD

4.380

Water Solubility, LogSw

-4.54

Polar Surface Area

83.275

Acid Dissociation Constant (pKa)

12.71

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

References: we are preparing a list of scientific research reports with K781-1046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-1046?
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What is the minimum amount of K781-1046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-1046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-1046
  • 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 K781-1046 available by request