8008-4752 Screening compound: N-(2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-chlorobenzamide

8008-4752 Screening compound: N-(2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-chlorobenzamide
8008-4752 Screening compound: N-(2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-chlorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-4752
N-(2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-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

8008-4752

Molecular Formula

C22H14BrClN2O2S2 (C22 H14 BrClN2 O2 S2)

Compound Name

N-(2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-chlorobenzamide

IUPAC name

N-(2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-13-benzothiazol-6-yl)-4-chlorobenzamide

SMILES

O=C(CSc1nc(ccc(NC(c(cc2)ccc2Cl)=O)c2)c2s1)c(cc1)ccc1Br

InChI

InChI=1S/C22H14BrClN2O2S2/c23-15-5-1-13(2-6-15)19(27)12-29-22-26-18-10-9-17(11-20(18)30-22)25-21(28)14-3-7-16(24)8-4-14/h1-11H,12H2,(H,25,28)

InChI Key

QDLWOTMORPMACX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00758406

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.85

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.695

Distribution Coefficient, logD

6.690

Water Solubility, LogSw

-6.60

Polar Surface Area

45.386

Acid Dissociation Constant (pKa)

9.32

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

8008-4752 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8008-4752 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-4752?
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What is the minimum amount of 8008-4752 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-4752
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-4752
  • 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 8008-4752 available by request