G878-0167 Screening compound: N-cyclohexyl-2-{[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

G878-0167 Screening compound: N-cyclohexyl-2-{[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
G878-0167 Screening compound: N-cyclohexyl-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 G878-0167
N-cyclohexyl-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

G878-0167

Molecular Formula

C26H29N5O2S (C26 H29 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1-n1c(SCC(NC2CCCCC2)=O)nnc1-c1c[nH]c2c1cccc2

InChI

InChI=1S/C26H29N5O2S/c1-2-33-20-14-12-19(13-15-20)31-25(22-16-27-23-11-7-6-10-21(22)23)29-30-26(31)34-17-24(32)28-18-8-4-3-5-9-18/h6-7,10-16,18,27H,2-5,8-9,17H2,1H3,(H,28,32)

InChI Key

LRDRSDOXUQDGDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05003152

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.61

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

5.183

Distribution Coefficient, logD

5.183

Water Solubility, LogSw

-5.04

Polar Surface Area

65.904

Acid Dissociation Constant (pKa)

15.85

Base Dissociation Constant (pKb)

5.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

G878-0167 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with G878-0167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G878-0167?
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What is the minimum amount of G878-0167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G878-0167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G878-0167
  • 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 G878-0167 available by request