Y050-2017 Screening compound: 2-(N-benzyl5-chloro-2-methoxybenzenesulfonamido)-N-[(furan-2-yl)methyl]acetamide

Y050-2017 Screening compound: 2-(N-benzyl5-chloro-2-methoxybenzenesulfonamido)-N-[(furan-2-yl)methyl]acetamide
Y050-2017 Screening compound: 2-(N-benzyl5-chloro-2-methoxybenzenesulfonamido)-N-[(furan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y050-2017
2-(N-benzyl5-chloro-2-methoxybenzenesulfonamido)-N-[(furan-2-yl)methyl]acetamide

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

Y050-2017

Molecular Formula

C21H21ClN2O5S (C21 H21 ClN2 O5 S)

Compound Name

2-(N-benzyl5-chloro-2-methoxybenzenesulfonamido)-N-[(furan-2-yl)methyl]acetamide

IUPAC name

2-(N-benzyl5-chloro-2-methoxybenzenesulfonamido)-N-[(furan-2-yl)methyl]acetamide

SMILES

COc(ccc(Cl)c1)c1S(N(CC(NCc1ccco1)=O)Cc1ccccc1)(=O)=O

InChI

InChI=1S/C21H21ClN2O5S/c1-28-19-10-9-17(22)12-20(19)30(26,27)24(14-16-6-3-2-4-7-16)15-21(25)23-13-18-8-5-11-29-18/h2-12H,13-15H2,1H3,(H,23,25)

InChI Key

ADXLTQKGUCTFGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08672563

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.93

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.797

Distribution Coefficient, logD

3.797

Water Solubility, LogSw

-4.33

Polar Surface Area

71.193

Acid Dissociation Constant (pKa)

11.18

Base Dissociation Constant (pKb)

-3.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

Y050-2017 in Drug Discovery

Included in Screening Libraries

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

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with Y050-2017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y050-2017?
Check Price and Availability of Y050-2017, 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 Y050-2017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y050-2017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y050-2017
  • 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 Y050-2017 available by request