8013-6289 Screening compound: N-(1,3-benzothiazol-2-yl)-2,4-dichloro-5-(dimethylsulfamoyl)benzamide

8013-6289 Screening compound: N-(1,3-benzothiazol-2-yl)-2,4-dichloro-5-(dimethylsulfamoyl)benzamide
8013-6289 Screening compound: N-(1,3-benzothiazol-2-yl)-2,4-dichloro-5-(dimethylsulfamoyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-6289
N-(1,3-benzothiazol-2-yl)-2,4-dichloro-5-(dimethylsulfamoyl)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

8013-6289

Molecular Formula

C16H13Cl2N3O3S2 (C16 H13 Cl2 N3 O3 S2)

Compound Name

N-(1,3-benzothiazol-2-yl)-2,4-dichloro-5-(dimethylsulfamoyl)benzamide

IUPAC name

N-(13-benzothiazol-2-yl)-24-dichloro-5-(dimethylsulfamoyl)benzamide

SMILES

CN(C)S(c(cc(C(Nc1nc(cccc2)c2s1)=O)c(Cl)c1)c1Cl)(=O)=O

InChI

InChI=1S/C16H13Cl2N3O3S2/c1-21(2)26(23,24)14-7-9(10(17)8-11(14)18)15(22)20-16-19-12-5-3-4-6-13(12)25-16/h3-8H,1-2H3,(H,19,20,22)

InChI Key

OSMYVEQSUJFBGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03767136

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.34

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.366

Distribution Coefficient, logD

4.002

Water Solubility, LogSw

-4.72

Polar Surface Area

66.755

Acid Dissociation Constant (pKa)

7.28

Base Dissociation Constant (pKb)

-0.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8013-6289 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 8013-6289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-6289?
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What is the minimum amount of 8013-6289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-6289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-6289
  • 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 8013-6289 available by request