A0012755 Screening compound: N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

A0012755 Screening compound: N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
A0012755 Screening compound: N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0012755
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-methylphenyl)-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

A0012755

Molecular Formula

C22H13ClF6N4O (C22 H13 ClF6 N4 O)

Compound Name

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

IUPAC name

N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-2-carboxamide

SMILES

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

InChI

InChI=1S/C22H13ClF6N4O/c1-11-2-4-12(5-3-11)16-9-18(22(27,28)29)33-19(31-16)10-17(32-33)20(34)30-13-6-7-15(23)14(8-13)21(24,25)26/h2-10H,1H3,(H,30,34)

InChI Key

QLEYVPMXJZXUSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02087796

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.81

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.040

Distribution Coefficient, logD

6.942

Water Solubility, LogSw

-6.48

Polar Surface Area

41.489

Acid Dissociation Constant (pKa)

8.00

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

A0012755 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

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 A0012755 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0012755?
Check Price and Availability of A0012755, 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 A0012755 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0012755
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0012755
  • 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 A0012755 available by request