G731-0295 Screening compound: 2-{[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one

G731-0295 Screening compound: 2-{[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
G731-0295 Screening compound: 2-{[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G731-0295
2-{[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-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

G731-0295

Molecular Formula

C16H19FN4OS (C16 H19 FN4 OS)

Compound Name

2-{[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one

IUPAC name

2-{[5-(4-fluorophenyl)-4H-124-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one

SMILES

CC(CC1)CCN1C(CSc1nnc(-c(cc2)ccc2F)[nH]1)=O

InChI

InChI=1S/C16H19FN4OS/c1-11-6-8-21(9-7-11)14(22)10-23-16-18-15(19-20-16)12-2-4-13(17)5-3-12/h2-5,11H,6-10H2,1H3,(H,18,19,20)

InChI Key

WNXQVDYDMDEWGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09179721

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.483

Distribution Coefficient, logD

1.291

Water Solubility, LogSw

-2.65

Polar Surface Area

48.866

Acid Dissociation Constant (pKa)

4.57

Base Dissociation Constant (pKb)

2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

G731-0295 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G731-0295 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G731-0295?
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What is the minimum amount of G731-0295 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G731-0295
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G731-0295
  • 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 G731-0295 available by request