G731-0269 Screening compound: ethyl 1-(2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxylate

G731-0269 Screening compound: ethyl 1-(2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxylate
G731-0269 Screening compound: ethyl 1-(2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G731-0269
ethyl 1-(2-{[5-(2-chlorophenyl)-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

G731-0269

Molecular Formula

C18H21ClN4O3S (C18 H21 ClN4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(CC1)CCN1C(CSc1nnc(-c(cccc2)c2Cl)[nH]1)=O)=O

InChI

InChI=1S/C18H21ClN4O3S/c1-2-26-17(25)12-7-9-23(10-8-12)15(24)11-27-18-20-16(21-22-18)13-5-3-4-6-14(13)19/h3-6,12H,2,7-11H2,1H3,(H,20,21,22)

InChI Key

XPSPFBMFJCQPRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15030819

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.91

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

2.305

Distribution Coefficient, logD

1.113

Water Solubility, LogSw

-3.39

Polar Surface Area

69.620

Acid Dissociation Constant (pKa)

4.57

Base Dissociation Constant (pKb)

2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

G731-0269 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 G731-0269 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G731-0269?
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What is the minimum amount of G731-0269 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G731-0269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G731-0269
  • 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 G731-0269 available by request