3209-0458 Screening compound: N-(2-bromo-4,6-difluorophenyl)-5-phenyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide

3209-0458 Screening compound: N-(2-bromo-4,6-difluorophenyl)-5-phenyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide
3209-0458 Screening compound: N-(2-bromo-4,6-difluorophenyl)-5-phenyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3209-0458
N-(2-bromo-4,6-difluorophenyl)-5-phenyl-7-(trifluoromethyl)-4H,5H,6H,7H-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

3209-0458

Molecular Formula

C20H14BrF5N4O (C20 H14 BrF5 N4 O)

Compound Name

N-(2-bromo-4,6-difluorophenyl)-5-phenyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide

IUPAC name

N-(2-bromo-46-difluorophenyl)-5-phenyl-7-(trifluoromethyl)-4H5H6H7H-pyrazolo[15-a]pyrimidine-2-carboxamide

SMILES

O=C(c1nn(C(CC(c2ccccc2)N2)C(F)(F)F)c2c1)Nc(c(F)cc(F)c1)c1Br

InChI

InChI=1S/C20H14BrF5N4O/c21-12-6-11(22)7-13(23)18(12)28-19(31)15-9-17-27-14(10-4-2-1-3-5-10)8-16(20(24,25)26)30(17)29-15/h1-7,9,14,16,27H,8H2,(H,28,31)

InChI Key

KYHGPIKSJMLWLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01923457

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.25

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.852

Distribution Coefficient, logD

4.748

Water Solubility, LogSw

-4.84

Polar Surface Area

49.462

Acid Dissociation Constant (pKa)

7.97

Base Dissociation Constant (pKb)

-4.87

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 3209-0458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3209-0458?
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What is the minimum amount of 3209-0458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3209-0458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3209-0458
  • 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 3209-0458 available by request