Y031-4459 Screening compound: 1-(furan-2-carbonyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

Y031-4459 Screening compound: 1-(furan-2-carbonyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
Y031-4459 Screening compound: 1-(furan-2-carbonyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-4459
1-(furan-2-carbonyl)-N-[5-(methoxymethyl)-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

Y031-4459

Molecular Formula

C15H18N4O4S (C15 H18 N4 O4 S)

Compound Name

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

IUPAC name

1-(furan-2-carbonyl)-N-[5-(methoxymethyl)-134-thiadiazol-2-yl]piperidine-4-carboxamide

SMILES

COCc1nnc(NC(C(CC2)CCN2C(c2ccco2)=O)=O)s1

InChI

InChI=1S/C15H18N4O4S/c1-22-9-12-17-18-15(24-12)16-13(20)10-4-6-19(7-5-10)14(21)11-3-2-8-23-11/h2-3,8,10H,4-7,9H2,1H3,(H,16,18,20)

InChI Key

GFGMFXYNDQOGKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07401161

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.780

Distribution Coefficient, logD

0.565

Water Solubility, LogSw

-2.05

Polar Surface Area

81.020

Acid Dissociation Constant (pKa)

7.59

Base Dissociation Constant (pKb)

5.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

Y031-4459 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Anti-HIV1 Library (19540 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with Y031-4459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-4459?
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What is the minimum amount of Y031-4459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-4459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-4459
  • 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 Y031-4459 available by request