8018-1973 Screening compound: 4-chloro-N-[4-(cyanomethyl)phenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide

8018-1973 Screening compound: 4-chloro-N-[4-(cyanomethyl)phenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
8018-1973 Screening compound: 4-chloro-N-[4-(cyanomethyl)phenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-1973
4-chloro-N-[4-(cyanomethyl)phenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide

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

8018-1973

Molecular Formula

C14H13ClN4O (C14 H13 ClN4 O)

Compound Name

4-chloro-N-[4-(cyanomethyl)phenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide

IUPAC name

4-chloro-N-[4-(cyanomethyl)phenyl]-13-dimethyl-1H-pyrazole-5-carboxamide

SMILES

Cc1nn(C)c(C(Nc2ccc(CC#N)cc2)=O)c1Cl

InChI

InChI=1S/C14H13ClN4O/c1-9-12(15)13(19(2)18-9)14(20)17-11-5-3-10(4-6-11)7-8-16/h3-6H,7H2,1-2H3,(H,17,20)

InChI Key

BBIDUHRISMLTBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07657205

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

288.74

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.646

Distribution Coefficient, logD

1.646

Water Solubility, LogSw

-3.03

Polar Surface Area

54.690

Acid Dissociation Constant (pKa)

10.26

Base Dissociation Constant (pKb)

-0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

8018-1973 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 8018-1973 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-1973?
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What is the minimum amount of 8018-1973 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-1973
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-1973
  • 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 8018-1973 available by request