G878-0157 Screening compound: N-(2,4-dimethylphenyl)-2-{[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

G878-0157 Screening compound: N-(2,4-dimethylphenyl)-2-{[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
G878-0157 Screening compound: N-(2,4-dimethylphenyl)-2-{[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G878-0157
N-(2,4-dimethylphenyl)-2-{[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

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

G878-0157

Molecular Formula

C28H27N5O2S (C28 H27 N5 O2 S)

Compound Name

N-(2,4-dimethylphenyl)-2-{[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

IUPAC name

N-(24-dimethylphenyl)-2-{[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-124-triazol-3-yl]sulfanyl}acetamide

SMILES

CCOc(cc1)ccc1-n1c(SCC(Nc2c(C)cc(C)cc2)=O)nnc1-c1c[nH]c2c1cccc2

InChI

InChI=1S/C28H27N5O2S/c1-4-35-21-12-10-20(11-13-21)33-27(23-16-29-25-8-6-5-7-22(23)25)31-32-28(33)36-17-26(34)30-24-14-9-18(2)15-19(24)3/h5-16,29H,4,17H2,1-3H3,(H,30,34)

InChI Key

ZFJSDBZBPKOHMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05003116

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.770

Distribution Coefficient, logD

5.770

Water Solubility, LogSw

-5.58

Polar Surface Area

64.158

Acid Dissociation Constant (pKa)

12.53

Base Dissociation Constant (pKb)

1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

References: we are preparing a list of scientific research reports with G878-0157 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G878-0157?
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What is the minimum amount of G878-0157 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G878-0157
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G878-0157
  • 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 G878-0157 available by request