A0012819 Screening compound: 5-(4-chlorophenyl)-N-[3-(2-cyanoethyl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

A0012819 Screening compound: 5-(4-chlorophenyl)-N-[3-(2-cyanoethyl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
A0012819 Screening compound: 5-(4-chlorophenyl)-N-[3-(2-cyanoethyl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0012819
5-(4-chlorophenyl)-N-[3-(2-cyanoethyl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-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

A0012819

Molecular Formula

C23H15ClF3N5O (C23 H15 ClF3 N5 O)

Compound Name

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

IUPAC name

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

SMILES

N#CCCc1cccc(NC(c2nn3c(C(F)(F)F)cc(-c(cc4)ccc4Cl)nc3c2)=O)c1

InChI

InChI=1S/C23H15ClF3N5O/c24-16-8-6-15(7-9-16)18-12-20(23(25,26)27)32-21(30-18)13-19(31-32)22(33)29-17-5-1-3-14(11-17)4-2-10-28/h1,3,5-9,11-13H,2,4H2,(H,29,33)

InChI Key

UYTFOIKUTCSVML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02087830

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.85

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

5.149

Distribution Coefficient, logD

5.149

Water Solubility, LogSw

-5.87

Polar Surface Area

58.981

Acid Dissociation Constant (pKa)

12.40

Base Dissociation Constant (pKb)

1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

A0012819 in Drug Discovery

Included in Screening Libraries

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with A0012819 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0012819?
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What is the minimum amount of A0012819 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0012819
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0012819
  • 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 A0012819 available by request