A0012890 Screening compound: N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

A0012890 Screening compound: N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
A0012890 Screening compound: N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0012890
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(3,4-dimethoxyphenyl)-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

A0012890

Molecular Formula

C23H15ClF6N4O3 (C23 H15 ClF6 N4 O3)

Compound Name

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

IUPAC name

N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(34-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-2-carboxamide

SMILES

COc(ccc(-c1nc2cc(C(Nc(cc3)c(C(F)(F)F)cc3Cl)=O)nn2c(C(F)(F)F)c1)c1)c1OC

InChI

InChI=1S/C23H15ClF6N4O3/c1-36-17-6-3-11(7-18(17)37-2)15-9-19(23(28,29)30)34-20(31-15)10-16(33-34)21(35)32-14-5-4-12(24)8-13(14)22(25,26)27/h3-10H,1-2H3,(H,32,35)

InChI Key

ILWMUTWSOTVNKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02112184

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

544.84

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.013

Distribution Coefficient, logD

6.012

Water Solubility, LogSw

-6.17

Polar Surface Area

56.052

Acid Dissociation Constant (pKa)

10.16

Base Dissociation Constant (pKb)

2.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

A0012890 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 A0012890 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0012890?
Check Price and Availability of A0012890, 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 A0012890 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0012890
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0012890
  • 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 A0012890 available by request