Y050-0464 Screening compound: 1-(4-methoxy-3-methylbenzenesulfonyl)-N-[(oxolan-2-yl)methyl]piperidine-3-carboxamide

Y050-0464 Screening compound: 1-(4-methoxy-3-methylbenzenesulfonyl)-N-[(oxolan-2-yl)methyl]piperidine-3-carboxamide
Y050-0464 Screening compound: 1-(4-methoxy-3-methylbenzenesulfonyl)-N-[(oxolan-2-yl)methyl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y050-0464
1-(4-methoxy-3-methylbenzenesulfonyl)-N-[(oxolan-2-yl)methyl]piperidine-3-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

Y050-0464

Molecular Formula

C19H28N2O5S (C19 H28 N2 O5 S)

Compound Name

1-(4-methoxy-3-methylbenzenesulfonyl)-N-[(oxolan-2-yl)methyl]piperidine-3-carboxamide

IUPAC name

1-(4-methoxy-3-methylbenzenesulfonyl)-N-[(oxolan-2-yl)methyl]piperidine-3-carboxamide

SMILES

Cc(cc(cc1)S(N(CCC2)CC2C(NCC2OCCC2)=O)(=O)=O)c1OC

InChI

InChI=1S/C19H28N2O5S/c1-14-11-17(7-8-18(14)25-2)27(23,24)21-9-3-5-15(13-21)19(22)20-12-16-6-4-10-26-16/h7-8,11,15-16H,3-6,9-10,12-13H2,1-2H3,(H,20,22)

InChI Key

FLPRRLMELMAKIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06631343

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.681

Distribution Coefficient, logD

1.681

Water Solubility, LogSw

-2.55

Polar Surface Area

72.581

Acid Dissociation Constant (pKa)

13.13

Base Dissociation Constant (pKb)

-1.12

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

63.20

Y050-0464 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

GPCR Targeted Library (31838 compounds)

SmartTM Library (51161 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:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y050-0464 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y050-0464?
Check Price and Availability of Y050-0464, 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 Y050-0464 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y050-0464
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y050-0464
  • 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 Y050-0464 available by request