A0000339 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

A0000339 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
A0000339 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0000339
N-[2-chloro-5-(trifluoromethyl)phenyl]-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

A0000339

Molecular Formula

C22H13ClF6N4O2 (C22 H13 ClF6 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-c1nc2cc(C(Nc(cc(C(F)(F)F)cc3)c3Cl)=O)nn2c(C(F)(F)F)c1

InChI

InChI=1S/C22H13ClF6N4O2/c1-35-13-5-2-11(3-6-13)15-9-18(22(27,28)29)33-19(30-15)10-17(32-33)20(34)31-16-8-12(21(24,25)26)4-7-14(16)23/h2-10H,1H3,(H,31,34)

InChI Key

YJDBLEMIGOCCKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01194822

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.81

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.415

Distribution Coefficient, logD

6.297

Water Solubility, LogSw

-6.45

Polar Surface Area

48.335

Acid Dissociation Constant (pKa)

7.91

Base Dissociation Constant (pKb)

1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

A0000339 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 A0000339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0000339?
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What is the minimum amount of A0000339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0000339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0000339
  • 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 A0000339 available by request