8009-1421 Screening compound: ethyl 2-[3-bromo-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

8009-1421 Screening compound: ethyl 2-[3-bromo-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
8009-1421 Screening compound: ethyl 2-[3-bromo-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-1421
ethyl 2-[3-bromo-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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

8009-1421

Molecular Formula

C23H18BrF3N4O4S (C23 H18 BrF3 N4 O4 S)

Compound Name

ethyl 2-[3-bromo-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 2-[3-bromo-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-2-amido]-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c2nn3c(C(F)(F)F)cc(-c4ccco4)nc3c2Br)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C23H18BrF3N4O4S/c1-2-34-22(33)16-11-6-3-4-8-14(11)36-21(16)29-20(32)18-17(24)19-28-12(13-7-5-9-35-13)10-15(23(25,26)27)31(19)30-18/h5,7,9-10H,2-4,6,8H2,1H3,(H,29,32)

InChI Key

BJUBLVPGAWTDKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01461506

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

583.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.658

Distribution Coefficient, logD

2.073

Water Solubility, LogSw

-5.39

Polar Surface Area

71.853

Acid Dissociation Constant (pKa)

3.81

Base Dissociation Constant (pKb)

0.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

8009-1421 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8009-1421 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-1421?
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What is the minimum amount of 8009-1421 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-1421
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-1421
  • 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 8009-1421 available by request