8008-5501 Screening compound: 4-chloro-N-[2-({[(1-phenylethyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide

8008-5501 Screening compound: 4-chloro-N-[2-({[(1-phenylethyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide
8008-5501 Screening compound: 4-chloro-N-[2-({[(1-phenylethyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-5501
4-chloro-N-[2-({[(1-phenylethyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide

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

8008-5501

Molecular Formula

C24H20ClN3O2S2 (C24 H20 ClN3 O2 S2)

Compound Name

4-chloro-N-[2-({[(1-phenylethyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide

IUPAC name

4-chloro-N-[2-({[(1-phenylethyl)carbamoyl]methyl}sulfanyl)-13-benzothiazol-6-yl]benzamide

SMILES

CC(c1ccccc1)NC(CSc1nc(ccc(NC(c(cc2)ccc2Cl)=O)c2)c2s1)=O

InChI

InChI=1S/C24H20ClN3O2S2/c1-15(16-5-3-2-4-6-16)26-22(29)14-31-24-28-20-12-11-19(13-21(20)32-24)27-23(30)17-7-9-18(25)10-8-17/h2-13,15H,14H2,1H3,(H,26,29)(H,27,30)/t15-/m0/s1

InChI Key

XUIZZBSJBPKNBN-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD01305313

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.03

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

5.643

Distribution Coefficient, logD

5.638

Water Solubility, LogSw

-6.07

Polar Surface Area

55.774

Acid Dissociation Constant (pKa)

9.32

Base Dissociation Constant (pKb)

0.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

8008-5501 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 8008-5501 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-5501?
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What is the minimum amount of 8008-5501 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-5501
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-5501
  • 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 8008-5501 available by request