G878-0172 Screening compound: ethyl 2-{[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate

G878-0172 Screening compound: ethyl 2-{[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate
G878-0172 Screening compound: ethyl 2-{[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G878-0172
ethyl 2-{[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate

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

G878-0172

Molecular Formula

C24H26N4O3S (C24 H26 N4 O3 S)

Compound Name

ethyl 2-{[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate

IUPAC name

ethyl 2-{[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-124-triazol-3-yl]sulfanyl}butanoate

SMILES

CCC(C(OCC)=O)Sc1nnc(-c2c[nH]c3c2cccc3)n1-c(cc1)ccc1OCC

InChI

InChI=1S/C24H26N4O3S/c1-4-21(23(29)31-6-3)32-24-27-26-22(19-15-25-20-10-8-7-9-18(19)20)28(24)16-11-13-17(14-12-16)30-5-2/h7-15,21,25H,4-6H2,1-3H3/t21-/m0/s1

InChI Key

UDYXDHKFZKWUAI-NRFANRHFSA-N

MDL Number (MFCD)

MFCD05003166

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.562

Distribution Coefficient, logD

5.562

Water Solubility, LogSw

-5.69

Polar Surface Area

62.732

Acid Dissociation Constant (pKa)

17.96

Base Dissociation Constant (pKb)

1.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

References: we are preparing a list of scientific research reports with G878-0172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G878-0172?
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What is the minimum amount of G878-0172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G878-0172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G878-0172
  • 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 G878-0172 available by request