3209-0940 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide

3209-0940 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide
3209-0940 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3209-0940
5-(2H-1,3-benzodioxol-5-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-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

3209-0940

Molecular Formula

C24H20F3N5O3S (C24 H20 F3 N5 O3 S)

Compound Name

5-(2H-1,3-benzodioxol-5-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide

IUPAC name

5-(2H-13-benzodioxol-5-yl)-N-(3-cyano-4567-tetrahydro-1-benzothiophen-2-yl)-7-(trifluoromethyl)-4H5H6H7H-pyrazolo[15-a]pyrimidine-2-carboxamide

SMILES

N#Cc1c(NC(c2nn(C(CC(c(cc3)cc4c3OCO4)N3)C(F)(F)F)c3c2)=O)sc2c1CCCC2

InChI

InChI=1S/C24H20F3N5O3S/c25-24(26,27)20-8-15(12-5-6-17-18(7-12)35-11-34-17)29-21-9-16(31-32(20)21)22(33)30-23-14(10-28)13-3-1-2-4-19(13)36-23/h5-7,9,15,20,29H,1-4,8,11H2,(H,30,33)

InChI Key

AVMDCHAVJVCKIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01923454

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.090

Distribution Coefficient, logD

3.873

Water Solubility, LogSw

-5.29

Polar Surface Area

84.744

Acid Dissociation Constant (pKa)

6.21

Base Dissociation Constant (pKb)

-3.68

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.50

3209-0940 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

KRAS-Targeted Library (16000 compounds)

Proline Kinase Library (2105 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 3209-0940 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3209-0940?
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What is the minimum amount of 3209-0940 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3209-0940
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3209-0940
  • 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 3209-0940 available by request