4073-0136 Screening compound: 2-[5-(3-chlorophenyl)-1H-1,2,4-triazol-1-yl]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carbonitrile

4073-0136 Screening compound: 2-[5-(3-chlorophenyl)-1H-1,2,4-triazol-1-yl]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carbonitrile
4073-0136 Screening compound: 2-[5-(3-chlorophenyl)-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 4073-0136
2-[5-(3-chlorophenyl)-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

4073-0136

Molecular Formula

C18H15ClN4S (C18 H15 ClN4 S)

Compound Name

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

IUPAC name

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

SMILES

N#Cc1c(-n2ncnc2-c2cccc(Cl)c2)sc2c1CCCCC2

InChI

InChI=1S/C18H15ClN4S/c19-13-6-4-5-12(9-13)17-21-11-22-23(17)18-15(10-20)14-7-2-1-3-8-16(14)24-18/h4-6,9,11H,1-3,7-8H2

InChI Key

ADWFVEDWMHSIPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01654997

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.86

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

5.488

Distribution Coefficient, logD

5.488

Water Solubility, LogSw

-6.28

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

4073-0136 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Annotated Library (21441 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 4073-0136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4073-0136?
Check Price and Availability of 4073-0136, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4073-0136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4073-0136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4073-0136
  • 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 4073-0136 available by request