A0070326 Screening compound: N-{[5-({2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl}-4-nitrobenzamide

A0070326 Screening compound: N-{[5-({2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl}-4-nitrobenzamide
A0070326 Screening compound: N-{[5-({2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl}-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0070326
N-{[5-({2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl}-4-nitrobenzamide

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

A0070326

Molecular Formula

C35H30FN7O6S (C35 H30 FN7 O6 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1C(CC1c(cc2)ccc2F)=NN1C(CSc1nnc(CNC(c(cc2)ccc2[N+]([O-])=O)=O)n1-c(cccc1)c1OC)=O

InChI

InChI=1S/C35H30FN7O6S/c1-48-27-17-11-22(12-18-27)28-19-30(23-7-13-25(36)14-8-23)42(40-28)33(44)21-50-35-39-38-32(41(35)29-5-3-4-6-31(29)49-2)20-37-34(45)24-9-15-26(16-10-24)43(46)47/h3-18,30H,19-21H2,1-2H3,(H,37,45)/t30-/m0/s1

InChI Key

GDRGEDGISLNCKO-PMERELPUSA-N

MDL Number (MFCD)

MFCD02650024

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

695.73

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

5.367

Distribution Coefficient, logD

5.367

Water Solubility, LogSw

-5.38

Polar Surface Area

125.249

Acid Dissociation Constant (pKa)

12.26

Base Dissociation Constant (pKb)

3.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.10

References: we are preparing a list of scientific research reports with A0070326 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0070326?
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What is the minimum amount of A0070326 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0070326
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0070326
  • 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 A0070326 available by request