3163-0049 Screening compound: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-{4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}acetamide

3163-0049 Screening compound: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-{4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}acetamide
3163-0049 Screening compound: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-{4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3163-0049
2-(1,3-benzothiazol-2-ylsulfanyl)-N-{4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}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

3163-0049

Molecular Formula

C18H14N4O3S4 (C18 H14 N4 O3 S4)

Compound Name

2-(1,3-benzothiazol-2-ylsulfanyl)-N-{4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}acetamide

IUPAC name

2-(13-benzothiazol-2-ylsulfanyl)-N-{4-[(13-thiazol-2-yl)sulfamoyl]phenyl}acetamide

SMILES

O=C(CSc1nc(cccc2)c2s1)Nc(cc1)ccc1S(Nc1nccs1)(=O)=O

InChI

InChI=1S/C18H14N4O3S4/c23-16(11-27-18-21-14-3-1-2-4-15(14)28-18)20-12-5-7-13(8-6-12)29(24,25)22-17-19-9-10-26-17/h1-10H,11H2,(H,19,22)(H,20,23)

InChI Key

IWLVCOHVUZYLFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01629480

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.889

Distribution Coefficient, logD

3.479

Water Solubility, LogSw

-4.14

Polar Surface Area

83.326

Acid Dissociation Constant (pKa)

7.20

Base Dissociation Constant (pKb)

0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

3163-0049 in Drug Discovery

Included in Screening Libraries

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3163-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3163-0049?
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What is the minimum amount of 3163-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3163-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3163-0049
  • 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 3163-0049 available by request