Y050-1143 Screening compound: 1-(4-ethoxy-3-methylbenzenesulfonyl)azepane

Y050-1143 Screening compound: 1-(4-ethoxy-3-methylbenzenesulfonyl)azepane
Y050-1143 Screening compound: 1-(4-ethoxy-3-methylbenzenesulfonyl)azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound Y050-1143
1-(4-ethoxy-3-methylbenzenesulfonyl)azepane

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

Y050-1143

Molecular Formula

C15H23NO3S (C15 H23 NO3 S)

Compound Name

1-(4-ethoxy-3-methylbenzenesulfonyl)azepane

IUPAC name

1-(4-ethoxy-3-methylbenzenesulfonyl)azepane

SMILES

CCOc(cc1)c(C)cc1S(N1CCCCCC1)(=O)=O

InChI

InChI=1S/C15H23NO3S/c1-3-19-15-9-8-14(12-13(15)2)20(17,18)16-10-6-4-5-7-11-16/h8-9,12H,3-7,10-11H2,1-2H3

InChI Key

IRQVWDOCITUFLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06635035

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.681

Distribution Coefficient, logD

3.681

Water Solubility, LogSw

-3.85

Polar Surface Area

39.491

Acid Dissociation Constant (pKa)

27.74

Base Dissociation Constant (pKb)

-3.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

Y050-1143 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with Y050-1143 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y050-1143?
Check Price and Availability of Y050-1143, 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 Y050-1143 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y050-1143
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y050-1143
  • 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 Y050-1143 available by request