8002-7137 Screening compound: 1,3-diphenyl-4,5-dihydro-1H-pyrazole-5-carbonitrile

8002-7137 Screening compound: 1,3-diphenyl-4,5-dihydro-1H-pyrazole-5-carbonitrile
8002-7137 Screening compound: 1,3-diphenyl-4,5-dihydro-1H-pyrazole-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-7137
1,3-diphenyl-4,5-dihydro-1H-pyrazole-5-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

8002-7137

Molecular Formula

C16H13N3 (C16 H13 N3)

Compound Name

1,3-diphenyl-4,5-dihydro-1H-pyrazole-5-carbonitrile

IUPAC name

13-diphenyl-45-dihydro-1H-pyrazole-5-carbonitrile

SMILES

N#CC(C1)N(c2ccccc2)N=C1c1ccccc1

InChI

InChI=1S/C16H13N3/c17-12-15-11-16(13-7-3-1-4-8-13)18-19(15)14-9-5-2-6-10-14/h1-10,15H,11H2/t15-/m0/s1

InChI Key

BSKPIEALJAZZOT-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD00425288

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

247.3

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.552

Distribution Coefficient, logD

3.552

Water Solubility, LogSw

-3.43

Polar Surface Area

31.199

Acid Dissociation Constant (pKa)

13.11

Base Dissociation Constant (pKb)

2.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

8002-7137 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8002-7137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-7137?
Check Price and Availability of 8002-7137, 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 8002-7137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-7137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-7137
  • 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 8002-7137 available by request