A0070380 Screening compound: N-{[4-(2,3-dimethylphenyl)-5-({2-[5-(4-methylphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2-methoxybenzamide

A0070380 Screening compound: N-{[4-(2,3-dimethylphenyl)-5-({2-[5-(4-methylphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2-methoxybenzamide
A0070380 Screening compound: N-{[4-(2,3-dimethylphenyl)-5-({2-[5-(4-methylphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0070380
N-{[4-(2,3-dimethylphenyl)-5-({2-[5-(4-methylphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2-methoxybenzamide

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

A0070380

Molecular Formula

C35H34N6O3S2 (C35 H34 N6 O3 S2)

Compound Name

N-{[4-(2,3-dimethylphenyl)-5-({2-[5-(4-methylphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2-methoxybenzamide

IUPAC name

N-{[4-(23-dimethylphenyl)-5-({2-[5-(4-methylphenyl)-3-(thiophen-2-yl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-124-triazol-3-yl]methyl}-2-methoxybenzamide

SMILES

Cc1ccc(C(C2)N(C(CSc3nnc(CNC(c(cccc4)c4OC)=O)n3-c3c(C)c(C)ccc3)=O)N=C2c2cccs2)cc1

InChI

InChI=1S/C35H34N6O3S2/c1-22-14-16-25(17-15-22)29-19-27(31-13-8-18-45-31)39-41(29)33(42)21-46-35-38-37-32(40(35)28-11-7-9-23(2)24(28)3)20-36-34(43)26-10-5-6-12-30(26)44-4/h5-18,29H,19-21H2,1-4H3,(H,36,43)/t29-/m1/s1

InChI Key

ISQKLZFBIHIRIA-GDLZYMKVSA-N

MDL Number (MFCD)

MFCD02650068

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

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.905

Distribution Coefficient, logD

6.905

Water Solubility, LogSw

-5.84

Polar Surface Area

85.342

Acid Dissociation Constant (pKa)

10.65

Base Dissociation Constant (pKb)

1.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.90

References: we are preparing a list of scientific research reports with A0070380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0070380?
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What is the minimum amount of A0070380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0070380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0070380
  • 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 A0070380 available by request