3209-0078 Screening compound: 3-bromo-5-(4-methoxyphenyl)-7-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

3209-0078 Screening compound: 3-bromo-5-(4-methoxyphenyl)-7-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
3209-0078 Screening compound: 3-bromo-5-(4-methoxyphenyl)-7-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3209-0078
3-bromo-5-(4-methoxyphenyl)-7-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]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

3209-0078

Molecular Formula

C22H13BrF6N4O2 (C22 H13 BrF6 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-c(cc(C(F)(F)F)n1nc2C(Nc3cc(C(F)(F)F)ccc3)=O)nc1c2Br

InChI

InChI=1S/C22H13BrF6N4O2/c1-35-14-7-5-11(6-8-14)15-10-16(22(27,28)29)33-19(31-15)17(23)18(32-33)20(34)30-13-4-2-3-12(9-13)21(24,25)26/h2-10H,1H3,(H,30,34)

InChI Key

CQUNVMXZTMADJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00290808

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

559.27

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

6.659

Distribution Coefficient, logD

6.644

Water Solubility, LogSw

-5.87

Polar Surface Area

50.349

Acid Dissociation Constant (pKa)

8.85

Base Dissociation Constant (pKb)

0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

3209-0078 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 3209-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3209-0078?
Check Price and Availability of 3209-0078, 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 3209-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3209-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3209-0078
  • 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 3209-0078 available by request