8009-0078 Screening compound: 3,4-dichloro-N-[2-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide

8009-0078 Screening compound: 3,4-dichloro-N-[2-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide
8009-0078 Screening compound: 3,4-dichloro-N-[2-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-0078
3,4-dichloro-N-[2-({[(2-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

8009-0078

Molecular Formula

C24H19Cl2N3O2S2 (C24 H19 Cl2 N3 O2 S2)

Compound Name

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

IUPAC name

34-dichloro-N-[2-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)-13-benzothiazol-6-yl]benzamide

SMILES

O=C(CSc1nc(ccc(NC(c(cc2)cc(Cl)c2Cl)=O)c2)c2s1)NCCc1ccccc1

InChI

InChI=1S/C24H19Cl2N3O2S2/c25-18-8-6-16(12-19(18)26)23(31)28-17-7-9-20-21(13-17)33-24(29-20)32-14-22(30)27-11-10-15-4-2-1-3-5-15/h1-9,12-13H,10-11,14H2,(H,27,30)(H,28,31)

InChI Key

SXOXNRAOZDVMCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01205198

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.880

Distribution Coefficient, logD

5.840

Water Solubility, LogSw

-6.14

Polar Surface Area

56.453

Acid Dissociation Constant (pKa)

8.42

Base Dissociation Constant (pKb)

0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8009-0078 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 8009-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-0078?
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What is the minimum amount of 8009-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-0078
  • 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 8009-0078 available by request