8008-2368 Screening compound: 2-[(6-{[(E)-1-(4-chlorophenyl)methylidene]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N-cyclohexylacetamide

8008-2368 Screening compound: 2-[(6-{[(E)-1-(4-chlorophenyl)methylidene]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N-cyclohexylacetamide
8008-2368 Screening compound: 2-[(6-{[(E)-1-(4-chlorophenyl)methylidene]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N-cyclohexylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-2368
2-[(6-{[(E)-1-(4-chlorophenyl)methylidene]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N-cyclohexylacetamide

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

8008-2368

Molecular Formula

C22H22ClN3OS2 (C22 H22 ClN3 OS2)

Compound Name

2-[(6-{[(E)-1-(4-chlorophenyl)methylidene]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N-cyclohexylacetamide

IUPAC name

2-({6-[(E)-[(4-chlorophenyl)methylidene]amino]-13-benzothiazol-2-yl}sulfanyl)-N-cyclohexylacetamide

SMILES

O=C(CSc1nc(ccc(/N=C/c(cc2)ccc2Cl)c2)c2s1)NC1CCCCC1

InChI

InChI=1S/C22H22ClN3OS2/c23-16-8-6-15(7-9-16)13-24-18-10-11-19-20(12-18)29-22(26-19)28-14-21(27)25-17-4-2-1-3-5-17/h6-13,17H,1-5,14H2,(H,25,27)

InChI Key

CMMCSSRRBUPWFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01303994

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.02

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.746

Distribution Coefficient, logD

5.746

Water Solubility, LogSw

-6.24

Polar Surface Area

41.373

Acid Dissociation Constant (pKa)

15.79

Base Dissociation Constant (pKb)

4.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.82

8008-2368 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 8008-2368 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-2368?
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What is the minimum amount of 8008-2368 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-2368
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-2368
  • 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 8008-2368 available by request