Y031-4486 Screening compound: 1-(furan-2-carbonyl)-N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}piperidine-4-carboxamide

Y031-4486 Screening compound: 1-(furan-2-carbonyl)-N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}piperidine-4-carboxamide
Y031-4486 Screening compound: 1-(furan-2-carbonyl)-N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-4486
1-(furan-2-carbonyl)-N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}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

Y031-4486

Molecular Formula

C16H20N4O4S2 (C16 H20 N4 O4 S2)

Compound Name

1-(furan-2-carbonyl)-N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}piperidine-4-carboxamide

IUPAC name

1-(furan-2-carbonyl)-N-{5-[(2-methoxyethyl)sulfanyl]-134-thiadiazol-2-yl}piperidine-4-carboxamide

SMILES

COCCSc1nnc(NC(C(CC2)CCN2C(c2ccco2)=O)=O)s1

InChI

InChI=1S/C16H20N4O4S2/c1-23-9-10-25-16-19-18-15(26-16)17-13(21)11-4-6-20(7-5-11)14(22)12-3-2-8-24-12/h2-3,8,11H,4-7,9-10H2,1H3,(H,17,18,21)

InChI Key

ZFRQRRGAHVBIPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07401173

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.49

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

1.541

Distribution Coefficient, logD

1.529

Water Solubility, LogSw

-2.34

Polar Surface Area

79.805

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

5.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

Y031-4486 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS MPO Library (28609 compounds)

Dark Chemical Matter Library (18430 compounds)

Anti-HIV1 Library (19540 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
  • Pool
Therapeutical areas:
  • Nervous system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with Y031-4486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-4486?
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What is the minimum amount of Y031-4486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-4486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-4486
  • 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 Y031-4486 available by request