A0012685 Screening compound: 1-(3-chlorophenyl)-4-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazine

A0012685 Screening compound: 1-(3-chlorophenyl)-4-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazine
A0012685 Screening compound: 1-(3-chlorophenyl)-4-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound A0012685
1-(3-chlorophenyl)-4-[5-(4-methoxyphenyl)-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

A0012685

Molecular Formula

C25H21ClF3N5O2 (C25 H21 ClF3 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-c1nc2cc(C(N(CC3)CCN3c3cccc(Cl)c3)=O)nn2c(C(F)(F)F)c1

InChI

InChI=1S/C25H21ClF3N5O2/c1-36-19-7-5-16(6-8-19)20-14-22(25(27,28)29)34-23(30-20)15-21(31-34)24(35)33-11-9-32(10-12-33)18-4-2-3-17(26)13-18/h2-8,13-15H,9-12H2,1H3

InChI Key

SDIYZRCTFPAIAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02087760

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.92

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.470

Distribution Coefficient, logD

5.470

Water Solubility, LogSw

-6.02

Polar Surface Area

45.850

Acid Dissociation Constant (pKa)

28.24

Base Dissociation Constant (pKb)

3.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

A0012685 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 A0012685 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0012685?
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What is the minimum amount of A0012685 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0012685
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0012685
  • 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 A0012685 available by request