Y031-4458 Screening compound: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(furan-2-carbonyl)piperidine-4-carboxamide

Y031-4458 Screening compound: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(furan-2-carbonyl)piperidine-4-carboxamide
Y031-4458 Screening compound: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(furan-2-carbonyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-4458
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(furan-2-carbonyl)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

Y031-4458

Molecular Formula

C19H24N4O3S (C19 H24 N4 O3 S)

Compound Name

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(furan-2-carbonyl)piperidine-4-carboxamide

IUPAC name

N-(5-cyclohexyl-134-thiadiazol-2-yl)-1-(furan-2-carbonyl)piperidine-4-carboxamide

SMILES

O=C(C(CC1)CCN1C(c1ccco1)=O)Nc1nnc(C2CCCCC2)s1

InChI

InChI=1S/C19H24N4O3S/c24-16(20-19-22-21-17(27-19)14-5-2-1-3-6-14)13-8-10-23(11-9-13)18(25)15-7-4-12-26-15/h4,7,12-14H,1-3,5-6,8-11H2,(H,20,22,24)

InChI Key

YJBVEWFDYSZPCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07401160

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.983

Distribution Coefficient, logD

2.783

Water Solubility, LogSw

-3.20

Polar Surface Area

72.022

Acid Dissociation Constant (pKa)

7.63

Base Dissociation Constant (pKb)

5.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.90

Y031-4458 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

GPCR Targeted Library (31838 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y031-4458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-4458?
Check Price and Availability of Y031-4458, 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 Y031-4458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-4458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-4458
  • 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 Y031-4458 available by request