A0005568 Screening compound: 1-(2-chlorophenyl)-4-[5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazine

A0005568 Screening compound: 1-(2-chlorophenyl)-4-[5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazine
A0005568 Screening compound: 1-(2-chlorophenyl)-4-[5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound A0005568
1-(2-chlorophenyl)-4-[5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazine

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

A0005568

Molecular Formula

C25H21ClF3N5O (C25 H21 ClF3 N5 O)

Compound Name

1-(2-chlorophenyl)-4-[5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazine

IUPAC name

1-(2-chlorophenyl)-4-[5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-2-carbonyl]piperazine

SMILES

Cc(cc1)ccc1-c1nc2cc(C(N(CC3)CCN3c(cccc3)c3Cl)=O)nn2c(C(F)(F)F)c1

InChI

InChI=1S/C25H21ClF3N5O/c1-16-6-8-17(9-7-16)19-14-22(25(27,28)29)34-23(30-19)15-20(31-34)24(35)33-12-10-32(11-13-33)21-5-3-2-4-18(21)26/h2-9,14-15H,10-13H2,1H3

InChI Key

PWIDKKFAWQUNTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02087743

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.92

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.002

Distribution Coefficient, logD

6.002

Water Solubility, LogSw

-6.03

Polar Surface Area

38.005

Acid Dissociation Constant (pKa)

28.37

Base Dissociation Constant (pKb)

4.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

A0005568 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 A0005568 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0005568?
Check Price and Availability of A0005568, 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 A0005568 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0005568
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0005568
  • 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 A0005568 available by request