8008-1052 Screening compound: 2-({6-[(E)-[(2-chloro-6-fluorophenyl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)-N-[2-(methylsulfanyl)-1,3-benzothiazol-6-yl]acetamide

8008-1052 Screening compound: 2-({6-[(E)-[(2-chloro-6-fluorophenyl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)-N-[2-(methylsulfanyl)-1,3-benzothiazol-6-yl]acetamide
8008-1052 Screening compound: 2-({6-[(E)-[(2-chloro-6-fluorophenyl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)-N-[2-(methylsulfanyl)-1,3-benzothiazol-6-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-1052
2-({6-[(E)-[(2-chloro-6-fluorophenyl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)-N-[2-(methylsulfanyl)-1,3-benzothiazol-6-yl]acetamide

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

8008-1052

Molecular Formula

C24H16ClFN4OS4 (C24 H16 ClFN4 OS4)

Compound Name

2-({6-[(E)-[(2-chloro-6-fluorophenyl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)-N-[2-(methylsulfanyl)-1,3-benzothiazol-6-yl]acetamide

IUPAC name

2-({6-[(E)-[(2-chloro-6-fluorophenyl)methylidene]amino]-13-benzothiazol-2-yl}sulfanyl)-N-[2-(methylsulfanyl)-13-benzothiazol-6-yl]acetamide

SMILES

CSc1nc(ccc(NC(CSc2nc(ccc(/N=C/c(c(F)ccc3)c3Cl)c3)c3s2)=O)c2)c2s1

InChI

InChI=1S/C24H16ClFN4OS4/c1-32-23-29-18-8-6-14(10-21(18)34-23)28-22(31)12-33-24-30-19-7-5-13(9-20(19)35-24)27-11-15-16(25)3-2-4-17(15)26/h2-11H,12H2,1H3,(H,28,31)

InChI Key

KDMIOASIQSQMKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01204437

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

559.13

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.144

Distribution Coefficient, logD

7.144

Water Solubility, LogSw

-6.44

Polar Surface Area

49.407

Acid Dissociation Constant (pKa)

11.87

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

References: we are preparing a list of scientific research reports with 8008-1052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-1052?
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What is the minimum amount of 8008-1052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-1052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-1052
  • 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 8008-1052 available by request