4073-0132 Screening compound: 2-[5-(2,3-dichlorophenyl)-1H-1,2,4-triazol-1-yl]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carbonitrile

4073-0132 Screening compound: 2-[5-(2,3-dichlorophenyl)-1H-1,2,4-triazol-1-yl]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carbonitrile
4073-0132 Screening compound: 2-[5-(2,3-dichlorophenyl)-1H-1,2,4-triazol-1-yl]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4073-0132
2-[5-(2,3-dichlorophenyl)-1H-1,2,4-triazol-1-yl]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-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

4073-0132

Molecular Formula

C18H14Cl2N4S (C18 H14 Cl2 N4 S)

Compound Name

2-[5-(2,3-dichlorophenyl)-1H-1,2,4-triazol-1-yl]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carbonitrile

IUPAC name

2-[5-(23-dichlorophenyl)-1H-124-triazol-1-yl]-4H5H6H7H8H-cyclohepta[b]thiophene-3-carbonitrile

SMILES

N#Cc1c(-n2ncnc2-c2cccc(Cl)c2Cl)sc2c1CCCCC2

InChI

InChI=1S/C18H14Cl2N4S/c19-14-7-4-6-12(16(14)20)17-22-10-23-24(17)18-13(9-21)11-5-2-1-3-8-15(11)25-18/h4,6-7,10H,1-3,5,8H2

InChI Key

VGJYBXKRZOEHRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01655018

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.31

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

5.818

Distribution Coefficient, logD

5.818

Water Solubility, LogSw

-6.73

Polar Surface Area

43.207

Acid Dissociation Constant (pKa)

25.49

Base Dissociation Constant (pKb)

2.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

4073-0132 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4073-0132 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4073-0132?
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What is the minimum amount of 4073-0132 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4073-0132
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4073-0132
  • 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 4073-0132 available by request