2513-3793 Screening compound: 3-chloro-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide

2513-3793 Screening compound: 3-chloro-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
2513-3793 Screening compound: 3-chloro-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2513-3793
3-chloro-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-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

2513-3793

Molecular Formula

C20H15ClN2OS2 (C20 H15 ClN2 OS2)

Compound Name

3-chloro-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide

IUPAC name

3-chloro-N-[4-(25-dimethylphenyl)-13-thiazol-2-yl]-1-benzothiophene-2-carboxamide

SMILES

Cc1cc(-c2csc(NC(c(sc3c4cccc3)c4Cl)=O)n2)c(C)cc1

InChI

InChI=1S/C20H15ClN2OS2/c1-11-7-8-12(2)14(9-11)15-10-25-20(22-15)23-19(24)18-17(21)13-5-3-4-6-16(13)26-18/h3-10H,1-2H3,(H,22,23,24)

InChI Key

SZULACXZCNDBCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01932289

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.94

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.834

Distribution Coefficient, logD

6.833

Water Solubility, LogSw

-6.48

Polar Surface Area

33.851

Acid Dissociation Constant (pKa)

10.73

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

2513-3793 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Proteases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 2513-3793 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2513-3793?
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What is the minimum amount of 2513-3793 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2513-3793
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2513-3793
  • 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 2513-3793 available by request