A0070827 Screening compound: N-{[4-(4-ethoxyphenyl)-5-({2-[3-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide

A0070827 Screening compound: N-{[4-(4-ethoxyphenyl)-5-({2-[3-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide
A0070827 Screening compound: N-{[4-(4-ethoxyphenyl)-5-({2-[3-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0070827
N-{[4-(4-ethoxyphenyl)-5-({2-[3-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}furan-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

A0070827

Molecular Formula

C35H34N6O5S (C35 H34 N6 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1-n1c(SCC(N(C(C2)c3ccc(C)cc3)N=C2c(cc2)ccc2OC)=O)nnc1CNC(c1ccco1)=O

InChI

InChI=1S/C35H34N6O5S/c1-4-45-28-17-13-26(14-18-28)40-32(21-36-34(43)31-6-5-19-46-31)37-38-35(40)47-22-33(42)41-30(25-9-7-23(2)8-10-25)20-29(39-41)24-11-15-27(44-3)16-12-24/h5-19,30H,4,20-22H2,1-3H3,(H,36,43)/t30-/m0/s1

InChI Key

RVGGDAFDIJDBNG-PMERELPUSA-N

MDL Number (MFCD)

MFCD02650419

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

650.76

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

5.584

Distribution Coefficient, logD

5.584

Water Solubility, LogSw

-5.38

Polar Surface Area

100.240

Acid Dissociation Constant (pKa)

12.38

Base Dissociation Constant (pKb)

-0.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.90

References: we are preparing a list of scientific research reports with A0070827 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0070827?
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What is the minimum amount of A0070827 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0070827
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0070827
  • 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 A0070827 available by request