8002-9912 Screening compound: 5-amino-1-benzyl-3-methyl-1H-pyrazol-4-yl cyanide

8002-9912 Screening compound: 5-amino-1-benzyl-3-methyl-1H-pyrazol-4-yl cyanide
8002-9912 Screening compound: 5-amino-1-benzyl-3-methyl-1H-pyrazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-9912
5-amino-1-benzyl-3-methyl-1H-pyrazol-4-yl cyanide

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

8002-9912

Molecular Formula

C12H12N4 (C12 H12 N4)

Compound Name

5-amino-1-benzyl-3-methyl-1H-pyrazol-4-yl cyanide

IUPAC name

5-amino-1-benzyl-3-methyl-1H-pyrazole-4-carbonitrile

SMILES

Cc1nn(Cc2ccccc2)c(N)c1C#N

InChI

InChI=1S/C12H12N4/c1-9-11(7-13)12(14)16(15-9)8-10-5-3-2-4-6-10/h2-6H,8,14H2,1H3

InChI Key

WSSJXCYPQWLVQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00502755

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

212.25

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.120

Distribution Coefficient, logD

1.120

Water Solubility, LogSw

-0.98

Polar Surface Area

50.827

Acid Dissociation Constant (pKa)

18.06

Base Dissociation Constant (pKb)

-0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

8002-9912 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Fragments Library (11262 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8002-9912 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-9912?
Check Price and Availability of 8002-9912, 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 8002-9912 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-9912
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-9912
  • 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 8002-9912 available by request