A0062276 Screening compound: N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl]-2-phenoxyacetamide

A0062276 Screening compound: N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl]-2-phenoxyacetamide
A0062276 Screening compound: N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl]-2-phenoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0062276
N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl]-2-phenoxyacetamide

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

A0062276

Molecular Formula

C29H29N5O4S (C29 H29 N5 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1-n1c(SCC(N(CC2)c3c2cccc3)=O)nnc1CNC(COc1ccccc1)=O

InChI

InChI=1S/C29H29N5O4S/c1-2-37-24-14-12-22(13-15-24)34-26(18-30-27(35)19-38-23-9-4-3-5-10-23)31-32-29(34)39-20-28(36)33-17-16-21-8-6-7-11-25(21)33/h3-15H,2,16-20H2,1H3,(H,30,35)

InChI Key

QOZDGKHBBZQJCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02088102

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

543.65

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.925

Distribution Coefficient, logD

3.925

Water Solubility, LogSw

-3.80

Polar Surface Area

80.206

Acid Dissociation Constant (pKa)

13.39

Base Dissociation Constant (pKb)

3.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

References: we are preparing a list of scientific research reports with A0062276 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0062276?
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What is the minimum amount of A0062276 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0062276
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0062276
  • 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 A0062276 available by request