1890-0744 Screening compound: 3-bromo-N-[(4-chlorophenyl)methyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

1890-0744 Screening compound: 3-bromo-N-[(4-chlorophenyl)methyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
1890-0744 Screening compound: 3-bromo-N-[(4-chlorophenyl)methyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1890-0744
3-bromo-N-[(4-chlorophenyl)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

1890-0744

Molecular Formula

C21H13BrClF3N4O (C21 H13 BrClF3 N4 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1nn2c(C(F)(F)F)cc(-c3ccccc3)nc2c1Br)NCc(cc1)ccc1Cl

InChI

InChI=1S/C21H13BrClF3N4O/c22-17-18(20(31)27-11-12-6-8-14(23)9-7-12)29-30-16(21(24,25)26)10-15(28-19(17)30)13-4-2-1-3-5-13/h1-10H,11H2,(H,27,31)

InChI Key

OVTHIJXVSKUBNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00753787

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.71

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.714

Distribution Coefficient, logD

5.714

Water Solubility, LogSw

-6.12

Polar Surface Area

44.128

Acid Dissociation Constant (pKa)

11.33

Base Dissociation Constant (pKb)

2.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with 1890-0744 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1890-0744?
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What is the minimum amount of 1890-0744 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1890-0744
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1890-0744
  • 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 1890-0744 available by request