2279-1497 Screening compound: 3-(3-chloro-1-benzothiophene-2-carbonyl)-1-(4-chlorophenyl)thiourea

2279-1497 Screening compound: 3-(3-chloro-1-benzothiophene-2-carbonyl)-1-(4-chlorophenyl)thiourea
2279-1497 Screening compound: 3-(3-chloro-1-benzothiophene-2-carbonyl)-1-(4-chlorophenyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 2279-1497
3-(3-chloro-1-benzothiophene-2-carbonyl)-1-(4-chlorophenyl)thiourea

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

2279-1497

Molecular Formula

C16H10Cl2N2OS2 (C16 H10 Cl2 N2 OS2)

Compound Name

3-(3-chloro-1-benzothiophene-2-carbonyl)-1-(4-chlorophenyl)thiourea

IUPAC name

3-(3-chloro-1-benzothiophene-2-carbonyl)-1-(4-chlorophenyl)thiourea

SMILES

O=C(c(sc1c2cccc1)c2Cl)NC(Nc(cc1)ccc1Cl)=S

InChI

InChI=1S/C16H10Cl2N2OS2/c17-9-5-7-10(8-6-9)19-16(22)20-15(21)14-13(18)11-3-1-2-4-12(11)23-14/h1-8H,(H2,19,20,21,22)

InChI Key

HDQXAVOCWIPOKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01472175

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.649

Distribution Coefficient, logD

5.648

Water Solubility, LogSw

-6.03

Polar Surface Area

33.987

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

-5.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2279-1497 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 2279-1497 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 2279-1497 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2279-1497
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2279-1497
  • 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 2279-1497 available by request