A0070256 Screening compound: N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl}-2-fluorobenzamide

A0070256 Screening compound: N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl}-2-fluorobenzamide
A0070256 Screening compound: N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl}-2-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0070256
N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl}-2-fluorobenzamide

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

A0070256

Molecular Formula

C35H33FN6O5S2 (C35 H33 FN6 O5 S2)

Compound Name

N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl}-2-fluorobenzamide

IUPAC name

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

SMILES

CCOc(cc1)ccc1-n1c(SCC(N(C(C2)c(cccc3OC)c3OC)N=C2c2cccs2)=O)nnc1CNC(c(cccc1)c1F)=O

InChI

InChI=1S/C35H33FN6O5S2/c1-4-47-23-16-14-22(15-17-23)41-31(20-37-34(44)24-9-5-6-11-26(24)36)38-39-35(41)49-21-32(43)42-28(19-27(40-42)30-13-8-18-48-30)25-10-7-12-29(45-2)33(25)46-3/h5-18,28H,4,19-21H2,1-3H3,(H,37,44)/t28-/m1/s1

InChI Key

FYDSHIWXWPIHGS-MUUNZHRXSA-N

MDL Number (MFCD)

MFCD04449213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

700.81

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

6.023

Distribution Coefficient, logD

6.023

Water Solubility, LogSw

-5.56

Polar Surface Area

100.483

Acid Dissociation Constant (pKa)

10.99

Base Dissociation Constant (pKb)

0.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.90

References: we are preparing a list of scientific research reports with A0070256 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0070256?
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What is the minimum amount of A0070256 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0070256
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0070256
  • 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 A0070256 available by request