A0071015 Screening compound: N-{[5-({2-[3-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide

A0071015 Screening compound: N-{[5-({2-[3-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide
A0071015 Screening compound: N-{[5-({2-[3-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0071015
N-{[5-({2-[3-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide

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

A0071015

Molecular Formula

C35H34N6O3S2 (C35 H34 N6 O3 S2)

Compound Name

N-{[5-({2-[3-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide

IUPAC name

N-{[5-({2-[3-(4-methoxyphenyl)-5-(4-methylphenyl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(2-phenylethyl)-4H-124-triazol-3-yl]methyl}thiophene-2-carboxamide

SMILES

Cc1ccc(C(C2)N(C(CSc3nnc(CNC(c4cccs4)=O)n3CCc3ccccc3)=O)N=C2c(cc2)ccc2OC)cc1

InChI

InChI=1S/C35H34N6O3S2/c1-24-10-12-27(13-11-24)30-21-29(26-14-16-28(44-2)17-15-26)39-41(30)33(42)23-46-35-38-37-32(22-36-34(43)31-9-6-20-45-31)40(35)19-18-25-7-4-3-5-8-25/h3-17,20,30H,18-19,21-23H2,1-2H3,(H,36,43)/t30-/m0/s1

InChI Key

AGDCKMOBNIOBIV-PMERELPUSA-N

MDL Number (MFCD)

MFCD02650576

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

650.83

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.249

Distribution Coefficient, logD

6.249

Water Solubility, LogSw

-5.59

Polar Surface Area

84.791

Acid Dissociation Constant (pKa)

13.43

Base Dissociation Constant (pKb)

0.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.90

References: we are preparing a list of scientific research reports with A0071015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0071015?
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What is the minimum amount of A0071015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0071015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0071015
  • 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 A0071015 available by request