G878-0002 Screening compound: 3-{5-[(diphenylmethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}-1H-indole

G878-0002 Screening compound: 3-{5-[(diphenylmethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}-1H-indole
G878-0002 Screening compound: 3-{5-[(diphenylmethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound G878-0002
3-{5-[(diphenylmethyl)sulfanyl]-4-methyl-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

G878-0002

Molecular Formula

C24H20N4S (C24 H20 N4 S)

Compound Name

3-{5-[(diphenylmethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}-1H-indole

IUPAC name

3-{5-[(diphenylmethyl)sulfanyl]-4-methyl-4H-124-triazol-3-yl}-1H-indole

SMILES

Cn1c(SC(c2ccccc2)c2ccccc2)nnc1-c1c[nH]c2c1cccc2

InChI

InChI=1S/C24H20N4S/c1-28-23(20-16-25-21-15-9-8-14-19(20)21)26-27-24(28)29-22(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-16,22,25H,1H3

InChI Key

QGNYOKOYADHCIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05002797

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.52

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.942

Distribution Coefficient, logD

5.942

Water Solubility, LogSw

-6.05

Polar Surface Area

34.650

Acid Dissociation Constant (pKa)

18.69

Base Dissociation Constant (pKb)

1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

G878-0002 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G878-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G878-0002?
Check Price and Availability of G878-0002, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G878-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G878-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G878-0002
  • 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 G878-0002 available by request