A0070146 Screening compound: N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide

A0070146 Screening compound: N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
A0070146 Screening compound: N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0070146
N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(4-fluorophenyl)-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

A0070146

Molecular Formula

C36H33FN6O5S (C36 H33 FN6 O5 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1C(CC1c(cccc2OC)c2OC)=NN1C(CSc1nnc(CNC(c2ccccc2)=O)n1-c(cc1)ccc1F)=O

InChI

InChI=1S/C36H33FN6O5S/c1-46-27-18-12-23(13-19-27)29-20-30(28-10-7-11-31(47-2)34(28)48-3)43(41-29)33(44)22-49-36-40-39-32(42(36)26-16-14-25(37)15-17-26)21-38-35(45)24-8-5-4-6-9-24/h4-19,30H,20-22H2,1-3H3,(H,38,45)/t30-/m0/s1

InChI Key

IRBSYMMDEBEFGS-PMERELPUSA-N

MDL Number (MFCD)

MFCD02649877

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

680.76

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

5.443

Distribution Coefficient, logD

5.443

Water Solubility, LogSw

-5.52

Polar Surface Area

99.885

Acid Dissociation Constant (pKa)

11.93

Base Dissociation Constant (pKb)

0.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.40

References: we are preparing a list of scientific research reports with A0070146 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0070146?
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What is the minimum amount of A0070146 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0070146
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0070146
  • 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 A0070146 available by request