A0012859 Screening compound: 1-(3-chlorophenyl)-4-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazine

A0012859 Screening compound: 1-(3-chlorophenyl)-4-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazine
A0012859 Screening compound: 1-(3-chlorophenyl)-4-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound A0012859
1-(3-chlorophenyl)-4-[5-(3,4-dimethoxyphenyl)-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

A0012859

Molecular Formula

C26H23ClF3N5O3 (C26 H23 ClF3 N5 O3)

Compound Name

1-(3-chlorophenyl)-4-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazine

IUPAC name

1-(3-chlorophenyl)-4-[5-(34-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-2-carbonyl]piperazine

SMILES

COc(ccc(-c1nc2cc(C(N(CC3)CCN3c3cccc(Cl)c3)=O)nn2c(C(F)(F)F)c1)c1)c1OC

InChI

InChI=1S/C26H23ClF3N5O3/c1-37-21-7-6-16(12-22(21)38-2)19-14-23(26(28,29)30)35-24(31-19)15-20(32-35)25(36)34-10-8-33(9-11-34)18-5-3-4-17(27)13-18/h3-7,12-15H,8-11H2,1-2H3

InChI Key

NIGDBGCPQOCRNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02112171

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

545.95

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.988

Distribution Coefficient, logD

4.987

Water Solubility, LogSw

-5.22

Polar Surface Area

53.567

Acid Dissociation Constant (pKa)

28.24

Base Dissociation Constant (pKb)

4.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

A0012859 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with A0012859 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0012859?
Check Price and Availability of A0012859, 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 A0012859 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0012859
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0012859
  • 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 A0012859 available by request