A0013192 Screening compound: N-[3-(2-cyanoethyl)phenyl]-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

A0013192 Screening compound: N-[3-(2-cyanoethyl)phenyl]-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
A0013192 Screening compound: N-[3-(2-cyanoethyl)phenyl]-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0013192
N-[3-(2-cyanoethyl)phenyl]-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-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

A0013192

Molecular Formula

C24H18F3N5O (C24 H18 F3 N5 O)

Compound Name

N-[3-(2-cyanoethyl)phenyl]-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

IUPAC name

N-[3-(2-cyanoethyl)phenyl]-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-3-carboxamide

SMILES

Cc(cc1)ccc1-c(cc(C(F)(F)F)n1nc2)nc1c2C(Nc1cc(CCC#N)ccc1)=O

InChI

InChI=1S/C24H18F3N5O/c1-15-7-9-17(10-8-15)20-13-21(24(25,26)27)32-22(31-20)19(14-29-32)23(33)30-18-6-2-4-16(12-18)5-3-11-28/h2,4,6-10,12-14H,3,5H2,1H3,(H,30,33)

InChI Key

HGNZWZJOSASZGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02087924

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.843

Distribution Coefficient, logD

4.843

Water Solubility, LogSw

-4.39

Polar Surface Area

59.751

Acid Dissociation Constant (pKa)

11.74

Base Dissociation Constant (pKb)

1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

A0013192 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with A0013192 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0013192?
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What is the minimum amount of A0013192 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0013192
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0013192
  • 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 A0013192 available by request