K061-0686 Screening compound: methyl 2-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-amido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

K061-0686 Screening compound: methyl 2-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-amido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
K061-0686 Screening compound: methyl 2-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-amido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K061-0686
methyl 2-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-amido]-6-methyl-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

K061-0686

Molecular Formula

C26H23F3N4O4S (C26 H23 F3 N4 O4 S)

Compound Name

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

IUPAC name

methyl 2-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-3-amido]-6-methyl-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CC(CC1)Cc2c1c(C(OC)=O)c(NC(c(cnn1c(C(F)(F)F)c3)c1nc3-c(cc1)ccc1OC)=O)s2

InChI

InChI=1S/C26H23F3N4O4S/c1-13-4-9-16-19(10-13)38-24(21(16)25(35)37-3)32-23(34)17-12-30-33-20(26(27,28)29)11-18(31-22(17)33)14-5-7-15(36-2)8-6-14/h5-8,11-13H,4,9-10H2,1-3H3,(H,32,34)/t13-/m1/s1

InChI Key

ZANQNHDSHFJDST-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD01540800

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

544.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.027

Distribution Coefficient, logD

2.722

Water Solubility, LogSw

-5.51

Polar Surface Area

70.692

Acid Dissociation Constant (pKa)

4.09

Base Dissociation Constant (pKb)

1.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with K061-0686 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K061-0686?
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What is the minimum amount of K061-0686 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K061-0686
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K061-0686
  • 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 K061-0686 available by request