G731-0625 Screening compound: ethyl 1-(2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxylate

G731-0625 Screening compound: ethyl 1-(2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxylate
G731-0625 Screening compound: ethyl 1-(2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G731-0625
ethyl 1-(2-{[5-(4-methoxyphenyl)-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

G731-0625

Molecular Formula

C19H24N4O4S (C19 H24 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(CC1)CCN1C(CSc1nnc(-c(cc2)ccc2OC)[nH]1)=O)=O

InChI

InChI=1S/C19H24N4O4S/c1-3-27-18(25)14-8-10-23(11-9-14)16(24)12-28-19-20-17(21-22-19)13-4-6-15(26-2)7-5-13/h4-7,14H,3,8-12H2,1-2H3,(H,20,21,22)

InChI Key

DLSUQCGIORSAGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04888187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.019

Distribution Coefficient, logD

0.827

Water Solubility, LogSw

-2.44

Polar Surface Area

77.164

Acid Dissociation Constant (pKa)

5.82

Base Dissociation Constant (pKb)

2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

G731-0625 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 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 G731-0625 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G731-0625?
Check Price and Availability of G731-0625, 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 G731-0625 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G731-0625
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G731-0625
  • 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 G731-0625 available by request