K061-0976 Screening compound: propan-2-yl 2-[5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

K061-0976 Screening compound: propan-2-yl 2-[5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
K061-0976 Screening compound: propan-2-yl 2-[5-(4-nitrophenyl)-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 K061-0976
propan-2-yl 2-[5-(4-nitrophenyl)-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

K061-0976

Molecular Formula

C26H22F3N5O5S (C26 H22 F3 N5 O5 S)

Compound Name

propan-2-yl 2-[5-(4-nitrophenyl)-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-(4-nitrophenyl)-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(-c(cc4)ccc4[N+]([O-])=O)nc3c2)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C26H22F3N5O5S/c1-13(2)39-25(36)22-16-5-3-4-6-19(16)40-24(22)31-23(35)18-12-21-30-17(11-20(26(27,28)29)33(21)32-18)14-7-9-15(10-8-14)34(37)38/h7-13H,3-6H2,1-2H3,(H,31,35)

InChI Key

MUIWXZJPYGESSZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01445172

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

573.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

6.564

Distribution Coefficient, logD

3.917

Water Solubility, LogSw

-5.70

Polar Surface Area

95.018

Acid Dissociation Constant (pKa)

4.75

Base Dissociation Constant (pKb)

1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

K061-0976 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with K061-0976 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K061-0976?
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What is the minimum amount of K061-0976 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K061-0976
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K061-0976
  • 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 K061-0976 available by request