A0062292 Screening compound: N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)methyl]-3-methoxybenzamide

A0062292 Screening compound: N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)methyl]-3-methoxybenzamide
A0062292 Screening compound: N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)methyl]-3-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0062292
N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)methyl]-3-methoxybenzamide

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

A0062292

Molecular Formula

C27H24FN5O3S (C27 H24 FN5 O3 S)

Compound Name

N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)methyl]-3-methoxybenzamide

IUPAC name

N-[(5-{[2-(23-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-(4-fluorophenyl)-4H-124-triazol-3-yl)methyl]-3-methoxybenzamide

SMILES

COc1cccc(C(NCc(n2-c(cc3)ccc3F)nnc2SCC(N(CC2)c3c2cccc3)=O)=O)c1

InChI

InChI=1S/C27H24FN5O3S/c1-36-22-7-4-6-19(15-22)26(35)29-16-24-30-31-27(33(24)21-11-9-20(28)10-12-21)37-17-25(34)32-14-13-18-5-2-3-8-23(18)32/h2-12,15H,13-14,16-17H2,1H3,(H,29,35)

InChI Key

JZPPLKGUQFSJDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02088108

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.784

Distribution Coefficient, logD

3.784

Water Solubility, LogSw

-4.00

Polar Surface Area

73.340

Acid Dissociation Constant (pKa)

12.54

Base Dissociation Constant (pKb)

0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with A0062292 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0062292?
Check Price and Availability of A0062292, 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 A0062292 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0062292
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0062292
  • 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 A0062292 available by request