A0005657 Screening compound: N-(3-chlorophenyl)-5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

A0005657 Screening compound: N-(3-chlorophenyl)-5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
A0005657 Screening compound: N-(3-chlorophenyl)-5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0005657
N-(3-chlorophenyl)-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

A0005657

Molecular Formula

C20H11Cl2F3N4O (C20 H11 Cl2 F3 N4 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1nn2c(C(F)(F)F)cc(-c(cc3)ccc3Cl)nc2c1)Nc1cccc(Cl)c1

InChI

InChI=1S/C20H11Cl2F3N4O/c21-12-6-4-11(5-7-12)15-9-17(20(23,24)25)29-18(27-15)10-16(28-29)19(30)26-14-3-1-2-13(22)8-14/h1-10H,(H,26,30)

InChI Key

JURXELVALBZHAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01529497

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.23

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

6.357

Distribution Coefficient, logD

6.357

Water Solubility, LogSw

-6.56

Polar Surface Area

41.489

Acid Dissociation Constant (pKa)

10.32

Base Dissociation Constant (pKb)

1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

A0005657 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 A0005657 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0005657?
Check Price and Availability of A0005657, 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 A0005657 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0005657
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0005657
  • 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 A0005657 available by request