Y020-1863 Screening compound: 1-(2-{[5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxamide

Y020-1863 Screening compound: 1-(2-{[5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxamide
Y020-1863 Screening compound: 1-(2-{[5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-1863
1-(2-{[5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxamide

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

Y020-1863

Molecular Formula

C17H21N5O3S (C17 H21 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cccc1)c1-c([nH]1)nnc1SCC(N(CC1)CCC1C(N)=O)=O

InChI

InChI=1S/C17H21N5O3S/c1-25-13-5-3-2-4-12(13)16-19-17(21-20-16)26-10-14(23)22-8-6-11(7-9-22)15(18)24/h2-5,11H,6-10H2,1H3,(H2,18,24)(H,19,20,21)

InChI Key

PZQWOCOWLHCUSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07181623

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.060

Distribution Coefficient, logD

-0.992

Water Solubility, LogSw

-2.20

Polar Surface Area

90.556

Acid Dissociation Constant (pKa)

4.23

Base Dissociation Constant (pKb)

3.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

Y020-1863 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

SmartTM Library (51161 compounds)

Soluble Diversity Library (15920 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with Y020-1863 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-1863?
Check Price and Availability of Y020-1863, 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 Y020-1863 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-1863
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-1863
  • 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 Y020-1863 available by request