A0070824 Screening compound: N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide

A0070824 Screening compound: N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide
A0070824 Screening compound: N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0070824
N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(3-methylphenyl)-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

A0070824

Molecular Formula

C35H34N6O6S (C35 H34 N6 O6 S)

Compound Name

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

IUPAC name

N-{[5-({2-[5-(23-dimethoxyphenyl)-3-(4-methoxyphenyl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(3-methylphenyl)-4H-124-triazol-3-yl]methyl}furan-2-carboxamide

SMILES

Cc1cccc(-n2c(SCC(N(C(C3)c(cccc4OC)c4OC)N=C3c(cc3)ccc3OC)=O)nnc2CNC(c2ccco2)=O)c1

InChI

InChI=1S/C35H34N6O6S/c1-22-8-5-9-24(18-22)40-31(20-36-34(43)30-12-7-17-47-30)37-38-35(40)48-21-32(42)41-28(26-10-6-11-29(45-3)33(26)46-4)19-27(39-41)23-13-15-25(44-2)16-14-23/h5-18,28H,19-21H2,1-4H3,(H,36,43)/t28-/m0/s1

InChI Key

QEOMUTLBSAFCRN-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD02650417

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

666.76

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

5.143

Distribution Coefficient, logD

5.143

Water Solubility, LogSw

-5.02

Polar Surface Area

108.464

Acid Dissociation Constant (pKa)

12.38

Base Dissociation Constant (pKb)

0.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.90

References: we are preparing a list of scientific research reports with A0070824 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0070824?
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What is the minimum amount of A0070824 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0070824
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0070824
  • 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 A0070824 available by request