K061-0562 Screening compound: propan-2-yl 2-[5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

K061-0562 Screening compound: propan-2-yl 2-[5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
K061-0562 Screening compound: propan-2-yl 2-[5-(thiophen-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 K061-0562
propan-2-yl 2-[5-(thiophen-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

K061-0562

Molecular Formula

C24H21F3N4O3S2 (C24 H21 F3 N4 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)OC(c1c(NC(c2nn3c(C(F)(F)F)cc(-c4cccs4)nc3c2)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C24H21F3N4O3S2/c1-12(2)34-23(33)20-13-6-3-4-7-16(13)36-22(20)29-21(32)15-11-19-28-14(17-8-5-9-35-17)10-18(24(25,26)27)31(19)30-15/h5,8-12H,3-4,6-7H2,1-2H3,(H,29,32)

InChI Key

FJGKITFRMSYIMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01451833

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

534.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.282

Distribution Coefficient, logD

3.635

Water Solubility, LogSw

-5.43

Polar Surface Area

62.655

Acid Dissociation Constant (pKa)

4.75

Base Dissociation Constant (pKb)

0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

K061-0562 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with K061-0562 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K061-0562?
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What is the minimum amount of K061-0562 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K061-0562
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K061-0562
  • 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 K061-0562 available by request