A0012829 Screening compound: N-(5-chloro-2-methylphenyl)-5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

A0012829 Screening compound: N-(5-chloro-2-methylphenyl)-5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
A0012829 Screening compound: N-(5-chloro-2-methylphenyl)-5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0012829
N-(5-chloro-2-methylphenyl)-5-(4-chlorophenyl)-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

A0012829

Molecular Formula

C21H13Cl2F3N4O (C21 H13 Cl2 F3 N4 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(ccc(Cl)c1)c1NC(c1nn2c(C(F)(F)F)cc(-c(cc3)ccc3Cl)nc2c1)=O

InChI

InChI=1S/C21H13Cl2F3N4O/c1-11-2-5-14(23)8-15(11)28-20(31)17-10-19-27-16(12-3-6-13(22)7-4-12)9-18(21(24,25)26)30(19)29-17/h2-10H,1H3,(H,28,31)

InChI Key

OZIAOGJNACFQOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02087839

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.26

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

6.259

Distribution Coefficient, logD

6.258

Water Solubility, LogSw

-6.32

Polar Surface Area

40.791

Acid Dissociation Constant (pKa)

10.08

Base Dissociation Constant (pKb)

1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

A0012829 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 A0012829 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0012829?
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What is the minimum amount of A0012829 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0012829
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0012829
  • 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 A0012829 available by request