G856-2699 Screening compound: 3-[5-(ALLYLSULFANYL)-4-ETHYL-4H-1,2,4-TRIAZOL-3-YL]-1H-INDOLE

G856-2699 Screening compound: 3-[5-(ALLYLSULFANYL)-4-ETHYL-4H-1,2,4-TRIAZOL-3-YL]-1H-INDOLE
G856-2699 Screening compound: 3-[5-(ALLYLSULFANYL)-4-ETHYL-4H-1,2,4-TRIAZOL-3-YL]-1H-INDOLE alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-2699
3-[5-(ALLYLSULFANYL)-4-ETHYL-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

G856-2699

Molecular Formula

C15H16N4S (C15 H16 N4 S)

Compound Name

3-[5-(ALLYLSULFANYL)-4-ETHYL-4H-1,2,4-TRIAZOL-3-YL]-1H-INDOLE

IUPAC name

n/a

SMILES

CCn1c(SCC=C)nnc1-c1c[nH]c2c1cccc2

InChI

InChI=1S/C15H16N4S/c1-3-9-20-15-18-17-14(19(15)4-2)12-10-16-13-8-6-5-7-11(12)13/h3,5-8,10,16H,1,4,9H2,2H3

InChI Key

QVBMIROITKEZAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04469850

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

284.39

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

3.737

Distribution Coefficient, logD

3.737

Water Solubility, LogSw

-4.02

Polar Surface Area

34.108

Acid Dissociation Constant (pKa)

18.69

Base Dissociation Constant (pKb)

1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.00

G856-2699 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with G856-2699 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-2699?
Check Price and Availability of G856-2699, 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 G856-2699 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-2699
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-2699
  • 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 G856-2699 available by request