3992-0045 Screening compound: 2,5-dichloro-N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}thiophene-3-carboxamide

3992-0045 Screening compound: 2,5-dichloro-N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}thiophene-3-carboxamide
3992-0045 Screening compound: 2,5-dichloro-N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}thiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3992-0045
2,5-dichloro-N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}thiophene-3-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

3992-0045

Molecular Formula

C17H14Cl2N4O3S2 (C17 H14 Cl2 N4 O3 S2)

Compound Name

2,5-dichloro-N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}thiophene-3-carboxamide

IUPAC name

25-dichloro-N-{4-[(46-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}thiophene-3-carboxamide

SMILES

Cc1nc(NS(c(cc2)ccc2NC(c(cc(s2)Cl)c2Cl)=O)(=O)=O)nc(C)c1

InChI

InChI=1S/C17H14Cl2N4O3S2/c1-9-7-10(2)21-17(20-9)23-28(25,26)12-5-3-11(4-6-12)22-16(24)13-8-14(18)27-15(13)19/h3-8H,1-2H3,(H,22,24)(H,20,21,23)

InChI Key

DEOVYQRGILSMLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02357011

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.36

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

3.486

Distribution Coefficient, logD

3.003

Water Solubility, LogSw

-4.01

Polar Surface Area

84.316

Acid Dissociation Constant (pKa)

7.09

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

3992-0045 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3992-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3992-0045?
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What is the minimum amount of 3992-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3992-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3992-0045
  • 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 3992-0045 available by request