A0070395 Screening compound: 2-methoxy-N-{[5-({2-[3-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}benzamide

A0070395 Screening compound: 2-methoxy-N-{[5-({2-[3-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}benzamide
A0070395 Screening compound: 2-methoxy-N-{[5-({2-[3-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0070395
2-methoxy-N-{[5-({2-[3-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}benzamide

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

A0070395

Molecular Formula

C31H32N6O4S (C31 H32 N6 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(C(C2)N(C(CSc3nnc(CNC(c(cccc4)c4OC)=O)n3C)=O)N=C2c(cc2)ccc2OC)cc1

InChI

InChI=1S/C31H32N6O4S/c1-20-9-11-22(12-10-20)26-17-25(21-13-15-23(40-3)16-14-21)35-37(26)29(38)19-42-31-34-33-28(36(31)2)18-32-30(39)24-7-5-6-8-27(24)41-4/h5-16,26H,17-19H2,1-4H3,(H,32,39)/t26-/m0/s1

InChI Key

LLNXYXQKLRENRO-SANMLTNESA-N

MDL Number (MFCD)

MFCD02650083

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

584.7

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.609

Distribution Coefficient, logD

4.608

Water Solubility, LogSw

-4.46

Polar Surface Area

92.506

Acid Dissociation Constant (pKa)

11.25

Base Dissociation Constant (pKb)

2.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.80

References: we are preparing a list of scientific research reports with A0070395 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0070395?
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What is the minimum amount of A0070395 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0070395
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0070395
  • 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 A0070395 available by request