A0013394 Screening compound: N-(4-cyanophenyl)-5-(2-furyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

A0013394 Screening compound: N-(4-cyanophenyl)-5-(2-furyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
A0013394 Screening compound: N-(4-cyanophenyl)-5-(2-furyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0013394
N-(4-cyanophenyl)-5-(2-furyl)-7-(trifluoromethyl)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

A0013394

Molecular Formula

C19H10F3N5O2 (C19 H10 F3 N5 O2)

Compound Name

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

IUPAC name

N-(4-cyanophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-3-carboxamide

SMILES

N#Cc(cc1)ccc1NC(c(cnn1c(C(F)(F)F)c2)c1nc2-c1ccco1)=O

InChI

InChI=1S/C19H10F3N5O2/c20-19(21,22)16-8-14(15-2-1-7-29-15)26-17-13(10-24-27(16)17)18(28)25-12-5-3-11(9-23)4-6-12/h1-8,10H,(H,25,28)

InChI Key

RPXDBBOOBAHVFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02648914

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.435

Distribution Coefficient, logD

3.430

Water Solubility, LogSw

-3.85

Polar Surface Area

67.894

Acid Dissociation Constant (pKa)

9.30

Base Dissociation Constant (pKb)

1.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.26

A0013394 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with A0013394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0013394?
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What is the minimum amount of A0013394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0013394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0013394
  • 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 A0013394 available by request