2774-1422 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-N-(3-chloro-2-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

2774-1422 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-N-(3-chloro-2-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
2774-1422 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-N-(3-chloro-2-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2774-1422
5-(2H-1,3-benzodioxol-5-yl)-N-(3-chloro-2-methylphenyl)-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

2774-1422

Molecular Formula

C22H14ClF3N4O3 (C22 H14 ClF3 N4 O3)

Compound Name

5-(2H-1,3-benzodioxol-5-yl)-N-(3-chloro-2-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

IUPAC name

5-(2H-13-benzodioxol-5-yl)-N-(3-chloro-2-methylphenyl)-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-2-carboxamide

SMILES

Cc(c(NC(c1nn2c(C(F)(F)F)cc(-c(cc3)cc4c3OCO4)nc2c1)=O)ccc1)c1Cl

InChI

InChI=1S/C22H14ClF3N4O3/c1-11-13(23)3-2-4-14(11)28-21(31)16-9-20-27-15(8-19(22(24,25)26)30(20)29-16)12-5-6-17-18(7-12)33-10-32-17/h2-9H,10H2,1H3,(H,28,31)

InChI Key

IULSJUOQGXWQGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01597092

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.83

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.813

Distribution Coefficient, logD

5.813

Water Solubility, LogSw

-6.02

Polar Surface Area

57.906

Acid Dissociation Constant (pKa)

10.08

Base Dissociation Constant (pKb)

2.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

2774-1422 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Human GPCR Annotated Library (5539 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 2774-1422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2774-1422?
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What is the minimum amount of 2774-1422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2774-1422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2774-1422
  • 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 2774-1422 available by request