3209-1388 Screening compound: 5-(4-chlorophenyl)-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

3209-1388 Screening compound: 5-(4-chlorophenyl)-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
3209-1388 Screening compound: 5-(4-chlorophenyl)-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 3209-1388
5-(4-chlorophenyl)-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

3209-1388

Molecular Formula

C23H19ClF3N5OS (C23 H19 ClF3 N5 OS)

Compound Name

5-(4-chlorophenyl)-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-(4-chlorophenyl)-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)ccc3Cl)N3)C(F)(F)F)c3c2)=O)sc2c1CCCC2

InChI

InChI=1S/C23H19ClF3N5OS/c24-13-7-5-12(6-8-13)16-9-19(23(25,26)27)32-20(29-16)10-17(31-32)21(33)30-22-15(11-28)14-3-1-2-4-18(14)34-22/h5-8,10,16,19,29H,1-4,9H2,(H,30,33)

InChI Key

DGTKNMRAEYNLCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01923957

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.95

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.811

Distribution Coefficient, logD

4.595

Water Solubility, LogSw

-6.48

Polar Surface Area

67.629

Acid Dissociation Constant (pKa)

6.21

Base Dissociation Constant (pKb)

-4.83

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.80

3209-1388 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

KRAS-Targeted Library (16000 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3209-1388 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3209-1388?
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What is the minimum amount of 3209-1388 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3209-1388
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3209-1388
  • 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 3209-1388 available by request