K061-0549 Screening compound: methyl 6-tert-butyl-2-[3-chloro-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

K061-0549 Screening compound: methyl 6-tert-butyl-2-[3-chloro-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
K061-0549 Screening compound: methyl 6-tert-butyl-2-[3-chloro-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 K061-0549
methyl 6-tert-butyl-2-[3-chloro-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

K061-0549

Molecular Formula

C26H24ClF3N4O3S2 (C26 H24 ClF3 N4 O3 S2)

Compound Name

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

IUPAC name

methyl 6-tert-butyl-2-[3-chloro-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-2-amido]-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CC(C)(C)C(CC1)Cc2c1c(C(OC)=O)c(NC(c1nn3c(C(F)(F)F)cc(-c4cccs4)nc3c1Cl)=O)s2

InChI

InChI=1S/C26H24ClF3N4O3S2/c1-25(2,3)12-7-8-13-16(10-12)39-23(18(13)24(36)37-4)32-22(35)20-19(27)21-31-14(15-6-5-9-38-15)11-17(26(28,29)30)34(21)33-20/h5-6,9,11-12H,7-8,10H2,1-4H3,(H,32,35)/t12-/m1/s1

InChI Key

YXRQTWDOXXRIPW-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD01450713

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

597.08

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

7.522

Distribution Coefficient, logD

3.937

Water Solubility, LogSw

-6.74

Polar Surface Area

64.713

Acid Dissociation Constant (pKa)

3.81

Base Dissociation Constant (pKb)

0.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

K061-0549 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Ion Channels
  • Phosphatases

References: we are preparing a list of scientific research reports with K061-0549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K061-0549?
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What is the minimum amount of K061-0549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K061-0549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K061-0549
  • 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 K061-0549 available by request