G878-0086 Screening compound: 3-[4-(4-methoxyphenyl)-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazol-3-yl]-1H-indole

G878-0086 Screening compound: 3-[4-(4-methoxyphenyl)-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazol-3-yl]-1H-indole
G878-0086 Screening compound: 3-[4-(4-methoxyphenyl)-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazol-3-yl]-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound G878-0086
3-[4-(4-methoxyphenyl)-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazol-3-yl]-1H-indole

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

G878-0086

Molecular Formula

C26H22N4OS (C26 H22 N4 OS)

Compound Name

3-[4-(4-methoxyphenyl)-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazol-3-yl]-1H-indole

IUPAC name

3-[4-(4-methoxyphenyl)-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-124-triazol-3-yl]-1H-indole

SMILES

COc(cc1)ccc1-n1c(SC/C=C/c2ccccc2)nnc1-c1c[nH]c2c1cccc2

InChI

InChI=1S/C26H22N4OS/c1-31-21-15-13-20(14-16-21)30-25(23-18-27-24-12-6-5-11-22(23)24)28-29-26(30)32-17-7-10-19-8-3-2-4-9-19/h2-16,18,27H,17H2,1H3

InChI Key

XZDIPBRKVTUFIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05002943

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.220

Distribution Coefficient, logD

6.220

Water Solubility, LogSw

-5.95

Polar Surface Area

42.127

Acid Dissociation Constant (pKa)

18.82

Base Dissociation Constant (pKb)

2.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

References: we are preparing a list of scientific research reports with G878-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G878-0086?
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What is the minimum amount of G878-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G878-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G878-0086
  • 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 G878-0086 available by request