A0013173 Screening compound: 5-(4-methylphenyl)-7-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

A0013173 Screening compound: 5-(4-methylphenyl)-7-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
A0013173 Screening compound: 5-(4-methylphenyl)-7-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0013173
5-(4-methylphenyl)-7-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-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

A0013173

Molecular Formula

C22H14F6N4O (C22 H14 F6 N4 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-c(cc(C(F)(F)F)n1nc2)nc1c2C(Nc1c(C(F)(F)F)cccc1)=O

InChI

InChI=1S/C22H14F6N4O/c1-12-6-8-13(9-7-12)17-10-18(22(26,27)28)32-19(30-17)14(11-29-32)20(33)31-16-5-3-2-4-15(16)21(23,24)25/h2-11H,1H3,(H,31,33)

InChI Key

RQLKJKYBEKZODQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01529324

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.012

Distribution Coefficient, logD

6.012

Water Solubility, LogSw

-5.32

Polar Surface Area

41.561

Acid Dissociation Constant (pKa)

11.30

Base Dissociation Constant (pKb)

1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with A0013173 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0013173?
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What is the minimum amount of A0013173 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0013173
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0013173
  • 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 A0013173 available by request