3130-0245 Screening compound: 3-chloro-N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-1-benzothiophene-2-carboxamide

3130-0245 Screening compound: 3-chloro-N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-1-benzothiophene-2-carboxamide
3130-0245 Screening compound: 3-chloro-N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3130-0245
3-chloro-N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-1-benzothiophene-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

3130-0245

Molecular Formula

C21H17ClN4O3S2 (C21 H17 ClN4 O3 S2)

Compound Name

3-chloro-N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-1-benzothiophene-2-carboxamide

IUPAC name

3-chloro-N-{4-[(46-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-1-benzothiophene-2-carboxamide

SMILES

Cc1nc(NS(c(cc2)ccc2NC(c(sc2c3cccc2)c3Cl)=O)(=O)=O)nc(C)c1

InChI

InChI=1S/C21H17ClN4O3S2/c1-12-11-13(2)24-21(23-12)26-31(28,29)15-9-7-14(8-10-15)25-20(27)19-18(22)16-5-3-4-6-17(16)30-19/h3-11H,1-2H3,(H,25,27)(H,23,24,26)

InChI Key

YVXPTZKSWBKBEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00115376

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.98

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.189

Distribution Coefficient, logD

3.707

Water Solubility, LogSw

-4.64

Polar Surface Area

84.044

Acid Dissociation Constant (pKa)

7.09

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

3130-0245 in Drug Discovery

Included in Screening Libraries

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3130-0245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3130-0245?
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What is the minimum amount of 3130-0245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3130-0245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3130-0245
  • 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 3130-0245 available by request