1890-0529 Screening compound: 3-bromo-5-phenyl-N-(2-phenylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

1890-0529 Screening compound: 3-bromo-5-phenyl-N-(2-phenylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
1890-0529 Screening compound: 3-bromo-5-phenyl-N-(2-phenylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1890-0529
3-bromo-5-phenyl-N-(2-phenylethyl)-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

1890-0529

Molecular Formula

C22H16BrF3N4O (C22 H16 BrF3 N4 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1nn2c(C(F)(F)F)cc(-c3ccccc3)nc2c1Br)NCCc1ccccc1

InChI

InChI=1S/C22H16BrF3N4O/c23-18-19(21(31)27-12-11-14-7-3-1-4-8-14)29-30-17(22(24,25)26)13-16(28-20(18)30)15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,27,31)

InChI Key

SKKNLNFKOVBILK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00682674

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.29

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.053

Distribution Coefficient, logD

5.053

Water Solubility, LogSw

-4.97

Polar Surface Area

43.969

Acid Dissociation Constant (pKa)

13.12

Base Dissociation Constant (pKb)

2.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

1890-0529 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1890-0529 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1890-0529?
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What is the minimum amount of 1890-0529 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1890-0529
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1890-0529
  • 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 1890-0529 available by request