8008-1331 Screening compound: N-(2-{[(benzylcarbamoyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-chlorobenzamide

8008-1331 Screening compound: N-(2-{[(benzylcarbamoyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-chlorobenzamide
8008-1331 Screening compound: N-(2-{[(benzylcarbamoyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-chlorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-1331
N-(2-{[(benzylcarbamoyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-chlorobenzamide

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

8008-1331

Molecular Formula

C23H18ClN3O2S2 (C23 H18 ClN3 O2 S2)

Compound Name

N-(2-{[(benzylcarbamoyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-chlorobenzamide

IUPAC name

N-(2-{[(benzylcarbamoyl)methyl]sulfanyl}-13-benzothiazol-6-yl)-2-chlorobenzamide

SMILES

O=C(CSc1nc(ccc(NC(c(cccc2)c2Cl)=O)c2)c2s1)NCc1ccccc1

InChI

InChI=1S/C23H18ClN3O2S2/c24-18-9-5-4-8-17(18)22(29)26-16-10-11-19-20(12-16)31-23(27-19)30-14-21(28)25-13-15-6-2-1-3-7-15/h1-12H,13-14H2,(H,25,28)(H,26,29)

InChI Key

DCOKBEYQHWAGFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00762007

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.276

Distribution Coefficient, logD

5.271

Water Solubility, LogSw

-5.70

Polar Surface Area

56.611

Acid Dissociation Constant (pKa)

9.32

Base Dissociation Constant (pKb)

0.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

References: we are preparing a list of scientific research reports with 8008-1331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-1331?
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What is the minimum amount of 8008-1331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-1331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-1331
  • 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 8008-1331 available by request