G731-0126 Screening compound: ethyl 1-{2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}piperidine-4-carboxylate

G731-0126 Screening compound: ethyl 1-{2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}piperidine-4-carboxylate
G731-0126 Screening compound: ethyl 1-{2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G731-0126
ethyl 1-{2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}piperidine-4-carboxylate

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

G731-0126

Molecular Formula

C18H22N4O3S (C18 H22 N4 O3 S)

Compound Name

ethyl 1-{2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}piperidine-4-carboxylate

IUPAC name

ethyl 1-{2-[(5-phenyl-4H-124-triazol-3-yl)sulfanyl]acetyl}piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(CSc1nnc(-c2ccccc2)[nH]1)=O)=O

InChI

InChI=1S/C18H22N4O3S/c1-2-25-17(24)14-8-10-22(11-9-14)15(23)12-26-18-19-16(20-21-18)13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H,19,20,21)

InChI Key

AYSCJBGZNPOQDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15030769

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.931

Distribution Coefficient, logD

0.739

Water Solubility, LogSw

-2.32

Polar Surface Area

69.620

Acid Dissociation Constant (pKa)

5.51

Base Dissociation Constant (pKb)

2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

G731-0126 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

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 G731-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G731-0126?
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What is the minimum amount of G731-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G731-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G731-0126
  • 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 G731-0126 available by request