6253-0638 Screening compound: N-(5-methanesulfonyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide

6253-0638 Screening compound: N-(5-methanesulfonyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide
6253-0638 Screening compound: N-(5-methanesulfonyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6253-0638
N-(5-methanesulfonyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide

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

6253-0638

Molecular Formula

C17H12N2O4S2 (C17 H12 N2 O4 S2)

Compound Name

N-(5-methanesulfonyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide

IUPAC name

N-(5-methanesulfonyl-13-benzothiazol-2-yl)-1-benzofuran-2-carboxamide

SMILES

CS(c(cc1)cc2c1sc(NC(c1cc(cccc3)c3o1)=O)n2)(=O)=O

InChI

InChI=1S/C17H12N2O4S2/c1-25(21,22)11-6-7-15-12(9-11)18-17(24-15)19-16(20)14-8-10-4-2-3-5-13(10)23-14/h2-9H,1H3,(H,18,19,20)

InChI Key

PTKRMLRYPYBRGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14711434

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.534

Distribution Coefficient, logD

3.532

Water Solubility, LogSw

-3.81

Polar Surface Area

71.133

Acid Dissociation Constant (pKa)

9.57

Base Dissociation Constant (pKb)

-0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

6253-0638 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Annotated Library (21441 compounds)

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

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 6253-0638 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6253-0638?
Check Price and Availability of 6253-0638, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6253-0638 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6253-0638
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6253-0638
  • 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 6253-0638 available by request