3209-0444 Screening compound: N,N-dibenzyl-3-bromo-5-phenyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide

3209-0444 Screening compound: N,N-dibenzyl-3-bromo-5-phenyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide
3209-0444 Screening compound: N,N-dibenzyl-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 3209-0444
N,N-dibenzyl-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

3209-0444

Molecular Formula

C28H24BrF3N4O (C28 H24 BrF3 N4 O)

Compound Name

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

IUPAC name

NN-dibenzyl-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)N(Cc1ccccc1)Cc1ccccc1

InChI

InChI=1S/C28H24BrF3N4O/c29-24-25(27(37)35(17-19-10-4-1-5-11-19)18-20-12-6-2-7-13-20)34-36-23(28(30,31)32)16-22(33-26(24)36)21-14-8-3-9-15-21/h1-15,22-23,33H,16-18H2

InChI Key

GHAZBFDGUMORMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01924221

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

569.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.255

Distribution Coefficient, logD

6.255

Water Solubility, LogSw

-5.87

Polar Surface Area

42.000

Acid Dissociation Constant (pKa)

17.08

Base Dissociation Constant (pKb)

-6.47

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

21.40

3209-0444 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3209-0444 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3209-0444?
Check Price and Availability of 3209-0444, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3209-0444 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3209-0444
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3209-0444
  • 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 3209-0444 available by request