A0070348 Screening compound: N-{[5-({2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-4-nitrobenzamide

A0070348 Screening compound: N-{[5-({2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-4-nitrobenzamide
A0070348 Screening compound: N-{[5-({2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0070348
N-{[5-({2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-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

A0070348

Molecular Formula

C29H26FN7O5S (C29 H26 FN7 O5 S)

Compound Name

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

SMILES

Cn1c(SCC(N(C(C2)c(cc3)ccc3F)N=C2c(cc2)ccc2OC)=O)nnc1CNC(c(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C29H26FN7O5S/c1-35-26(16-31-28(39)20-5-11-22(12-6-20)37(40)41)32-33-29(35)43-17-27(38)36-25(19-3-9-21(30)10-4-19)15-24(34-36)18-7-13-23(42-2)14-8-18/h3-14,25H,15-17H2,1-2H3,(H,31,39)/t25-/m0/s1

InChI Key

GLBMHUMMGCBTHR-VWLOTQADSA-N

MDL Number (MFCD)

MFCD02650041

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

603.63

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

4.017

Distribution Coefficient, logD

4.017

Water Solubility, LogSw

-4.19

Polar Surface Area

118.257

Acid Dissociation Constant (pKa)

12.36

Base Dissociation Constant (pKb)

2.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.70

References: we are preparing a list of scientific research reports with A0070348 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0070348?
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What is the minimum amount of A0070348 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0070348
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0070348
  • 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 A0070348 available by request