Y050-0564 Screening compound: 1-(3-chloro-4-methoxybenzenesulfonyl)-N-[(furan-2-yl)methyl]piperidine-3-carboxamide

Y050-0564 Screening compound: 1-(3-chloro-4-methoxybenzenesulfonyl)-N-[(furan-2-yl)methyl]piperidine-3-carboxamide
Y050-0564 Screening compound: 1-(3-chloro-4-methoxybenzenesulfonyl)-N-[(furan-2-yl)methyl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y050-0564
1-(3-chloro-4-methoxybenzenesulfonyl)-N-[(furan-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

Y050-0564

Molecular Formula

C18H21ClN2O5S (C18 H21 ClN2 O5 S)

Compound Name

1-(3-chloro-4-methoxybenzenesulfonyl)-N-[(furan-2-yl)methyl]piperidine-3-carboxamide

IUPAC name

1-(3-chloro-4-methoxybenzenesulfonyl)-N-[(furan-2-yl)methyl]piperidine-3-carboxamide

SMILES

COc(ccc(S(N(CCC1)CC1C(NCc1ccco1)=O)(=O)=O)c1)c1Cl

InChI

InChI=1S/C18H21ClN2O5S/c1-25-17-7-6-15(10-16(17)19)27(23,24)21-8-2-4-13(12-21)18(22)20-11-14-5-3-9-26-14/h3,5-7,9-10,13H,2,4,8,11-12H2,1H3,(H,20,22)/t13-/m0/s1

InChI Key

DYIXMTLVKPAEDE-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD03753696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.89

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

2.379

Distribution Coefficient, logD

2.379

Water Solubility, LogSw

-3.31

Polar Surface Area

71.675

Acid Dissociation Constant (pKa)

11.76

Base Dissociation Constant (pKb)

-2.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

Y050-0564 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

CNS Annotated Library (688 compounds)

Dark Chemical Matter Library (18430 compounds)

Human GPCR Annotated Library (5539 compounds)

Protein Arginine Methyltransferases Library (27925 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:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y050-0564 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y050-0564?
Check Price and Availability of Y050-0564, 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 Y050-0564 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y050-0564
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y050-0564
  • 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 Y050-0564 available by request