G878-0152 Screening compound: 2-{[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylphenyl)acetamide

G878-0152 Screening compound: 2-{[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylphenyl)acetamide
G878-0152 Screening compound: 2-{[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G878-0152
2-{[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylphenyl)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

G878-0152

Molecular Formula

C27H25N5O2S (C27 H25 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1-n1c(SCC(Nc2c(C)cccc2)=O)nnc1-c1c[nH]c2c1cccc2

InChI

InChI=1S/C27H25N5O2S/c1-3-34-20-14-12-19(13-15-20)32-26(22-16-28-24-11-7-5-9-21(22)24)30-31-27(32)35-17-25(33)29-23-10-6-4-8-18(23)2/h4-16,28H,3,17H2,1-2H3,(H,29,33)

InChI Key

IPHKYPNKAMSPCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05003111

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.59

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

5.082

Distribution Coefficient, logD

5.082

Water Solubility, LogSw

-4.92

Polar Surface Area

64.158

Acid Dissociation Constant (pKa)

12.65

Base Dissociation Constant (pKb)

0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

References: we are preparing a list of scientific research reports with G878-0152 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G878-0152?
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What is the minimum amount of G878-0152 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G878-0152
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G878-0152
  • 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 G878-0152 available by request