1976-0011 Screening compound: 2-[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]propanedinitrile

1976-0011 Screening compound: 2-[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]propanedinitrile
1976-0011 Screening compound: 2-[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]propanedinitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1976-0011
2-[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]propanedinitrile

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

1976-0011

Molecular Formula

C14H9ClN4 (C14 H9 ClN4)

Compound Name

2-[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]propanedinitrile

IUPAC name

2-[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]propanedinitrile

SMILES

Cc(c(C=C(C#N)C#N)c1Cl)nn1-c1ccccc1

InChI

InChI=1S/C14H9ClN4/c1-10-13(7-11(8-16)9-17)14(15)19(18-10)12-5-3-2-4-6-12/h2-7H,1H3

InChI Key

JLULGJXCYHRHFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00790562

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

268.71

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.555

Distribution Coefficient, logD

2.555

Water Solubility, LogSw

-2.92

Polar Surface Area

49.150

Acid Dissociation Constant (pKa)

30.57

Base Dissociation Constant (pKb)

-3.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

1976-0011 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1976-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1976-0011?
Check Price and Availability of 1976-0011, 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 1976-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1976-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1976-0011
  • 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 1976-0011 available by request