A0012738 Screening compound: N-(2,5-dichlorophenyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

A0012738 Screening compound: N-(2,5-dichlorophenyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
A0012738 Screening compound: N-(2,5-dichlorophenyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0012738
N-(2,5-dichlorophenyl)-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

A0012738

Molecular Formula

C21H13Cl2F3N4O (C21 H13 Cl2 F3 N4 O)

Compound Name

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

IUPAC name

N-(25-dichlorophenyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-2-carboxamide

SMILES

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

InChI

InChI=1S/C21H13Cl2F3N4O/c1-11-2-4-12(5-3-11)15-9-18(21(24,25)26)30-19(27-15)10-17(29-30)20(31)28-16-8-13(22)6-7-14(16)23/h2-10H,1H3,(H,28,31)

InChI Key

XNUVFOOTEUNPPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01529402

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.26

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

6.488

Distribution Coefficient, logD

6.450

Water Solubility, LogSw

-6.34

Polar Surface Area

40.791

Acid Dissociation Constant (pKa)

8.44

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with A0012738 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0012738?
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What is the minimum amount of A0012738 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0012738
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0012738
  • 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 A0012738 available by request