3209-0457 Screening compound: N-[3,5-bis(4-fluorophenoxy)phenyl]-3-bromo-5-phenyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide

3209-0457 Screening compound: N-[3,5-bis(4-fluorophenoxy)phenyl]-3-bromo-5-phenyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide
3209-0457 Screening compound: N-[3,5-bis(4-fluorophenoxy)phenyl]-3-bromo-5-phenyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3209-0457
N-[3,5-bis(4-fluorophenoxy)phenyl]-3-bromo-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

3209-0457

Molecular Formula

C32H22BrF5N4O3 (C32 H22 BrF5 N4 O3)

Compound Name

N-[3,5-bis(4-fluorophenoxy)phenyl]-3-bromo-5-phenyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide

IUPAC name

N-[35-bis(4-fluorophenoxy)phenyl]-3-bromo-5-phenyl-7-(trifluoromethyl)-4H5H6H7H-pyrazolo[15-a]pyrimidine-2-carboxamide

SMILES

O=C(c1nn(C(CC(c2ccccc2)N2)C(F)(F)F)c2c1Br)Nc1cc(Oc(cc2)ccc2F)cc(Oc(cc2)ccc2F)c1

InChI

InChI=1S/C32H22BrF5N4O3/c33-28-29(41-42-27(32(36,37)38)17-26(40-30(28)42)18-4-2-1-3-5-18)31(43)39-21-14-24(44-22-10-6-19(34)7-11-22)16-25(15-21)45-23-12-8-20(35)9-13-23/h1-16,26-27,40H,17H2,(H,39,43)

InChI Key

YCEWWGRQYUCRBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01923961

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

685.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

8.589

Distribution Coefficient, logD

8.589

Water Solubility, LogSw

-6.14

Polar Surface Area

62.647

Acid Dissociation Constant (pKa)

11.79

Base Dissociation Constant (pKb)

-6.15

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 3209-0457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3209-0457?
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What is the minimum amount of 3209-0457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3209-0457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3209-0457
  • 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 3209-0457 available by request