8002-1701 Screening compound: 5-amino-1-(4-chlorobenzyl)-3-methyl-1H-pyrazol-4-yl cyanide

8002-1701 Screening compound: 5-amino-1-(4-chlorobenzyl)-3-methyl-1H-pyrazol-4-yl cyanide
8002-1701 Screening compound: 5-amino-1-(4-chlorobenzyl)-3-methyl-1H-pyrazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-1701
5-amino-1-(4-chlorobenzyl)-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

8002-1701

Molecular Formula

C12H11ClN4 (C12 H11 ClN4)

Compound Name

5-amino-1-(4-chlorobenzyl)-3-methyl-1H-pyrazol-4-yl cyanide

IUPAC name

5-amino-1-[(4-chlorophenyl)methyl]-3-methyl-1H-pyrazole-4-carbonitrile

SMILES

Cc1nn(Cc(cc2)ccc2Cl)c(N)c1C#N

InChI

InChI=1S/C12H11ClN4/c1-8-11(6-14)12(15)17(16-8)7-9-2-4-10(13)5-3-9/h2-5H,7,15H2,1H3

InChI Key

RDYGDENXXIIQJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00686133

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

246.7

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

1.714

Distribution Coefficient, logD

1.714

Water Solubility, LogSw

-2.30

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

8002-1701 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8002-1701 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-1701?
Check Price and Availability of 8002-1701, 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 8002-1701 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-1701
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-1701
  • 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 8002-1701 available by request