K061-0563 Screening compound: ethyl 6-tert-butyl-2-[5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

K061-0563 Screening compound: ethyl 6-tert-butyl-2-[5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
K061-0563 Screening compound: ethyl 6-tert-butyl-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 K061-0563
ethyl 6-tert-butyl-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

K061-0563

Molecular Formula

C27H27F3N4O3S2 (C27 H27 F3 N4 O3 S2)

Compound Name

ethyl 6-tert-butyl-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

ethyl 6-tert-butyl-2-[5-(thiophen-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(-c4cccs4)nc3c2)=O)sc(C2)c1CCC2C(C)(C)C)=O

InChI

InChI=1S/C27H27F3N4O3S2/c1-5-37-25(36)22-15-9-8-14(26(2,3)4)11-19(15)39-24(22)32-23(35)17-13-21-31-16(18-7-6-10-38-18)12-20(27(28,29)30)34(21)33-17/h6-7,10,12-14H,5,8-9,11H2,1-4H3,(H,32,35)/t14-/m1/s1

InChI Key

UOILJXLOCIFGJB-CQSZACIVSA-N

MDL Number (MFCD)

MFCD01450432

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

576.66

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.329

Distribution Coefficient, logD

4.682

Water Solubility, LogSw

-5.67

Polar Surface Area

62.976

Acid Dissociation Constant (pKa)

4.75

Base Dissociation Constant (pKb)

0.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.70

K061-0563 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K061-0563 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K061-0563?
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What is the minimum amount of K061-0563 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K061-0563
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K061-0563
  • 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 K061-0563 available by request