G003-0100 Screening compound: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-(piperidin-1-yl)ethan-1-one

G003-0100 Screening compound: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-(piperidin-1-yl)ethan-1-one
G003-0100 Screening compound: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-(piperidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G003-0100
2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-(piperidin-1-yl)ethan-1-one

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

G003-0100

Molecular Formula

C22H22N4OS (C22 H22 N4 OS)

Compound Name

2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-(piperidin-1-yl)ethan-1-one

IUPAC name

2-[(56-diphenyl-124-triazin-3-yl)sulfanyl]-1-(piperidin-1-yl)ethan-1-one

SMILES

O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)N1CCCCC1

InChI

InChI=1S/C22H22N4OS/c27-19(26-14-8-3-9-15-26)16-28-22-23-20(17-10-4-1-5-11-17)21(24-25-22)18-12-6-2-7-13-18/h1-2,4-7,10-13H,3,8-9,14-16H2

InChI Key

WOYRTVXSRUZDIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01574376

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.686

Distribution Coefficient, logD

3.686

Water Solubility, LogSw

-3.79

Polar Surface Area

47.778

Acid Dissociation Constant (pKa)

17.82

Base Dissociation Constant (pKb)

0.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

G003-0100 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with G003-0100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G003-0100?
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What is the minimum amount of G003-0100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G003-0100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G003-0100
  • 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 G003-0100 available by request