1762-0405 Screening compound: 3-bromo-N-[(4-methoxyphenyl)methyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

1762-0405 Screening compound: 3-bromo-N-[(4-methoxyphenyl)methyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
1762-0405 Screening compound: 3-bromo-N-[(4-methoxyphenyl)methyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1762-0405
3-bromo-N-[(4-methoxyphenyl)methyl]-5-phenyl-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

1762-0405

Molecular Formula

C22H16BrF3N4O2 (C22 H16 BrF3 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(CNC(c2nn3c(C(F)(F)F)cc(-c4ccccc4)nc3c2Br)=O)cc1

InChI

InChI=1S/C22H16BrF3N4O2/c1-32-15-9-7-13(8-10-15)12-27-21(31)19-18(23)20-28-16(14-5-3-2-4-6-14)11-17(22(24,25)26)30(20)29-19/h2-11H,12H2,1H3,(H,27,31)

InChI Key

NRDFIENVLZMMMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00753790

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.102

Distribution Coefficient, logD

5.102

Water Solubility, LogSw

-4.94

Polar Surface Area

51.671

Acid Dissociation Constant (pKa)

12.75

Base Dissociation Constant (pKb)

2.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with 1762-0405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1762-0405?
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What is the minimum amount of 1762-0405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1762-0405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1762-0405
  • 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 1762-0405 available by request