G878-0141 Screening compound: methyl 2-{[4-(2,5-dimethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate

G878-0141 Screening compound: methyl 2-{[4-(2,5-dimethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate
G878-0141 Screening compound: methyl 2-{[4-(2,5-dimethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G878-0141
methyl 2-{[4-(2,5-dimethoxyphenyl)-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

G878-0141

Molecular Formula

C23H24N4O4S (C23 H24 N4 O4 S)

Compound Name

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

IUPAC name

methyl 2-{[4-(25-dimethoxyphenyl)-5-(1H-indol-3-yl)-4H-124-triazol-3-yl]sulfanyl}butanoate

SMILES

CCC(C(OC)=O)Sc1nnc(-c2c[nH]c3c2cccc3)n1-c(cc(cc1)OC)c1OC

InChI

InChI=1S/C23H24N4O4S/c1-5-20(22(28)31-4)32-23-26-25-21(16-13-24-17-9-7-6-8-15(16)17)27(23)18-12-14(29-2)10-11-19(18)30-3/h6-13,20,24H,5H2,1-4H3/t20-/m0/s1

InChI Key

UHAMACVEOVIZIR-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD05003086

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.860

Distribution Coefficient, logD

4.860

Water Solubility, LogSw

-4.72

Polar Surface Area

70.902

Acid Dissociation Constant (pKa)

17.38

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

G878-0141 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G878-0141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G878-0141?
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What is the minimum amount of G878-0141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G878-0141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G878-0141
  • 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 G878-0141 available by request