K061-0796 Screening compound: methyl 2-[5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

K061-0796 Screening compound: methyl 2-[5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
K061-0796 Screening compound: methyl 2-[5-(4-bromophenyl)-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 K061-0796
methyl 2-[5-(4-bromophenyl)-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

K061-0796

Molecular Formula

C24H18BrF3N4O3S (C24 H18 BrF3 N4 O3 S)

Compound Name

methyl 2-[5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

methyl 2-[5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-2-amido]-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

COC(c1c(NC(c2nn3c(C(F)(F)F)cc(-c(cc4)ccc4Br)nc3c2)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C24H18BrF3N4O3S/c1-35-23(34)20-14-4-2-3-5-17(14)36-22(20)30-21(33)16-11-19-29-15(12-6-8-13(25)9-7-12)10-18(24(26,27)28)32(19)31-16/h6-11H,2-5H2,1H3,(H,30,33)

InChI Key

VCCQIUJDSAHEDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01528317

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

579.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.579

Distribution Coefficient, logD

3.933

Water Solubility, LogSw

-5.74

Polar Surface Area

62.378

Acid Dissociation Constant (pKa)

4.75

Base Dissociation Constant (pKb)

1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

K061-0796 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antiviral Library (67538 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with K061-0796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K061-0796?
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What is the minimum amount of K061-0796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K061-0796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K061-0796
  • 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 K061-0796 available by request