A0000342 Screening compound: N-(3-chlorophenyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

A0000342 Screening compound: N-(3-chlorophenyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
A0000342 Screening compound: N-(3-chlorophenyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0000342
N-(3-chlorophenyl)-5-(4-methoxyphenyl)-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

A0000342

Molecular Formula

C21H14ClF3N4O2 (C21 H14 ClF3 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-c1nc2cc(C(Nc3cccc(Cl)c3)=O)nn2c(C(F)(F)F)c1

InChI

InChI=1S/C21H14ClF3N4O2/c1-31-15-7-5-12(6-8-15)16-10-18(21(23,24)25)29-19(27-16)11-17(28-29)20(30)26-14-4-2-3-13(22)9-14/h2-11H,1H3,(H,26,30)

InChI Key

PIANSZAEYMRBNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01194795

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.82

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.745

Distribution Coefficient, logD

5.745

Water Solubility, LogSw

-6.09

Polar Surface Area

49.032

Acid Dissociation Constant (pKa)

10.32

Base Dissociation Constant (pKb)

1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

A0000342 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 A0000342 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0000342?
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What is the minimum amount of A0000342 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0000342
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0000342
  • 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 A0000342 available by request