A0070355 Screening compound: N-{[5-({2-[3-(4-bromophenyl)-5-(2,3-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-4-nitrobenzamide

A0070355 Screening compound: N-{[5-({2-[3-(4-bromophenyl)-5-(2,3-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-4-nitrobenzamide
A0070355 Screening compound: N-{[5-({2-[3-(4-bromophenyl)-5-(2,3-dimethoxyphenyl)-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 A0070355
N-{[5-({2-[3-(4-bromophenyl)-5-(2,3-dimethoxyphenyl)-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

A0070355

Molecular Formula

C30H28BrN7O6S (C30 H28 BrN7 O6 S)

Compound Name

N-{[5-({2-[3-(4-bromophenyl)-5-(2,3-dimethoxyphenyl)-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-[3-(4-bromophenyl)-5-(23-dimethoxyphenyl)-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(cccc3OC)c3OC)N=C2c(cc2)ccc2Br)=O)nnc1CNC(c(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C30H28BrN7O6S/c1-36-26(16-32-29(40)19-9-13-21(14-10-19)38(41)42)33-34-30(36)45-17-27(39)37-24(22-5-4-6-25(43-2)28(22)44-3)15-23(35-37)18-7-11-20(31)12-8-18/h4-14,24H,15-17H2,1-3H3,(H,32,40)/t24-/m1/s1

InChI Key

DRNGNPQWQGJAPB-XMMPIXPASA-N

MDL Number (MFCD)

MFCD02650045

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

694.57

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

4.723

Distribution Coefficient, logD

4.723

Water Solubility, LogSw

-4.56

Polar Surface Area

126.061

Acid Dissociation Constant (pKa)

12.36

Base Dissociation Constant (pKb)

1.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.30

References: we are preparing a list of scientific research reports with A0070355 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0070355?
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What is the minimum amount of A0070355 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0070355
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0070355
  • 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 A0070355 available by request