A0000398 Screening compound: N-(4-cyanophenyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

A0000398 Screening compound: N-(4-cyanophenyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
A0000398 Screening compound: N-(4-cyanophenyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0000398
N-(4-cyanophenyl)-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

A0000398

Molecular Formula

C22H14F3N5O2 (C22 H14 F3 N5 O2)

Compound Name

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

IUPAC name

n/a

SMILES

COc(cc1)ccc1-c1nc2cc(C(Nc(cc3)ccc3C#N)=O)nn2c(C(F)(F)F)c1

InChI

InChI=1S/C22H14F3N5O2/c1-32-16-8-4-14(5-9-16)17-10-19(22(23,24)25)30-20(28-17)11-18(29-30)21(31)27-15-6-2-13(12-26)3-7-15/h2-11H,1H3,(H,27,31)

InChI Key

WERISERAUQMURL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02087709

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.646

Distribution Coefficient, logD

4.645

Water Solubility, LogSw

-4.48

Polar Surface Area

66.089

Acid Dissociation Constant (pKa)

9.96

Base Dissociation Constant (pKb)

1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

A0000398 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

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 A0000398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0000398?
Check Price and Availability of A0000398, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of A0000398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0000398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0000398
  • 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 A0000398 available by request