A0062296 Screening compound: N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)methyl]-3-methoxybenzamide

A0062296 Screening compound: N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)methyl]-3-methoxybenzamide
A0062296 Screening compound: N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)methyl]-3-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0062296
N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-[3-(trifluoromethyl)phenyl]-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

A0062296

Molecular Formula

C28H24F3N5O3S (C28 H24 F3 N5 O3 S)

Compound Name

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

SMILES

COc1cccc(C(NCc(n2-c3cc(C(F)(F)F)ccc3)nnc2SCC(N(CC2)c3c2cccc3)=O)=O)c1

InChI

InChI=1S/C28H24F3N5O3S/c1-39-22-10-4-7-19(14-22)26(38)32-16-24-33-34-27(36(24)21-9-5-8-20(15-21)28(29,30)31)40-17-25(37)35-13-12-18-6-2-3-11-23(18)35/h2-11,14-15H,12-13,16-17H2,1H3,(H,32,38)

InChI Key

PTOSUWORJQZTEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02088110

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

567.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.581

Distribution Coefficient, logD

4.581

Water Solubility, LogSw

-4.29

Polar Surface Area

73.340

Acid Dissociation Constant (pKa)

12.54

Base Dissociation Constant (pKb)

0.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with A0062296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0062296?
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What is the minimum amount of A0062296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0062296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0062296
  • 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 A0062296 available by request