K061-0680 Screening compound: methyl 6-tert-butyl-2-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

K061-0680 Screening compound: methyl 6-tert-butyl-2-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
K061-0680 Screening compound: methyl 6-tert-butyl-2-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K061-0680
methyl 6-tert-butyl-2-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-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

K061-0680

Molecular Formula

C29H29F3N4O4S (C29 H29 F3 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C29H29F3N4O4S/c1-28(2,3)16-8-11-18-21(12-16)41-26(23(18)27(38)40-5)35-25(37)19-14-33-36-22(29(30,31)32)13-20(34-24(19)36)15-6-9-17(39-4)10-7-15/h6-7,9-10,13-14,16H,8,11-12H2,1-5H3,(H,35,37)/t16-/m1/s1

InChI Key

PDVUIQGFGLJWRW-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD01540795

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

586.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

7.150

Distribution Coefficient, logD

3.845

Water Solubility, LogSw

-5.66

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

37.90

K061-0680 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K061-0680 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K061-0680?
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What is the minimum amount of K061-0680 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K061-0680
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K061-0680
  • 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 K061-0680 available by request