4073-0143 Screening compound: 2-[5-(2,3-dichlorophenyl)-1H-1,2,4-triazol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

4073-0143 Screening compound: 2-[5-(2,3-dichlorophenyl)-1H-1,2,4-triazol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
4073-0143 Screening compound: 2-[5-(2,3-dichlorophenyl)-1H-1,2,4-triazol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4073-0143
2-[5-(2,3-dichlorophenyl)-1H-1,2,4-triazol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

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

4073-0143

Molecular Formula

C17H12Cl2N4S (C17 H12 Cl2 N4 S)

Compound Name

2-[5-(2,3-dichlorophenyl)-1H-1,2,4-triazol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

IUPAC name

2-[5-(23-dichlorophenyl)-1H-124-triazol-1-yl]-4567-tetrahydro-1-benzothiophene-3-carbonitrile

SMILES

N#Cc1c(-n2ncnc2-c2cccc(Cl)c2Cl)sc2c1CCCC2

InChI

InChI=1S/C17H12Cl2N4S/c18-13-6-3-5-11(15(13)19)16-21-9-22-23(16)17-12(8-20)10-4-1-2-7-14(10)24-17/h3,5-6,9H,1-2,4,7H2

InChI Key

GNGZJFJDHFWKJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02932067

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.28

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.322

Distribution Coefficient, logD

5.322

Water Solubility, LogSw

-6.48

Polar Surface Area

42.876

Acid Dissociation Constant (pKa)

25.27

Base Dissociation Constant (pKb)

2.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

4073-0143 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Immunological Library (6760 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Agro:
  • Agro
Targets:
  • Others

References: we are preparing a list of scientific research reports with 4073-0143 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4073-0143?
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What is the minimum amount of 4073-0143 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4073-0143
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4073-0143
  • 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 4073-0143 available by request