3167-0458 Screening compound: 2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide

3167-0458 Screening compound: 2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide
3167-0458 Screening compound: 2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3167-0458
2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-chloro-2-methylphenyl)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

3167-0458

Molecular Formula

C16H14ClN3OS2 (C16 H14 ClN3 OS2)

Compound Name

2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide

IUPAC name

2-[(6-amino-13-benzothiazol-2-yl)sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide

SMILES

Cc(c(NC(CSc1nc(ccc(N)c2)c2s1)=O)ccc1)c1Cl

InChI

InChI=1S/C16H14ClN3OS2/c1-9-11(17)3-2-4-12(9)19-15(21)8-22-16-20-13-6-5-10(18)7-14(13)23-16/h2-7H,8,18H2,1H3,(H,19,21)

InChI Key

BHMSGONTSWNEOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02168803

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.89

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.067

Distribution Coefficient, logD

4.067

Water Solubility, LogSw

-4.16

Polar Surface Area

52.306

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

6.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

3167-0458 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3167-0458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3167-0458?
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What is the minimum amount of 3167-0458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3167-0458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3167-0458
  • 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 3167-0458 available by request