A0070272 Screening compound: N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}-3-fluorobenzamide

A0070272 Screening compound: N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}-3-fluorobenzamide
A0070272 Screening compound: N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}-3-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0070272
N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}-3-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

A0070272

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-phenyl-4H-1,2,4-triazol-3-yl]methyl}-3-fluorobenzamide

IUPAC name

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

SMILES

COc(cc1)ccc1C(CC1c(cccc2OC)c2OC)=NN1C(CSc1nnc(CNC(c2cc(F)ccc2)=O)n1-c1ccccc1)=O

InChI

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

InChI Key

AFFXVJRJZCQFEM-PMERELPUSA-N

MDL Number (MFCD)

MFCD02649974

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

5.520

Distribution Coefficient, logD

5.520

Water Solubility, LogSw

-5.50

Polar Surface Area

99.885

Acid Dissociation Constant (pKa)

11.03

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 A0070272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0070272?
Check Price and Availability of A0070272, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of A0070272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0070272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0070272
  • 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 A0070272 available by request