Y050-1139 Screening compound: 1-(4-ethoxy-3-methylbenzenesulfonyl)pyrrolidine

Y050-1139 Screening compound: 1-(4-ethoxy-3-methylbenzenesulfonyl)pyrrolidine
Y050-1139 Screening compound: 1-(4-ethoxy-3-methylbenzenesulfonyl)pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y050-1139
1-(4-ethoxy-3-methylbenzenesulfonyl)pyrrolidine

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

Y050-1139

Molecular Formula

C13H19NO3S (C13 H19 NO3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)c(C)cc1S(N1CCCC1)(=O)=O

InChI

InChI=1S/C13H19NO3S/c1-3-17-13-7-6-12(10-11(13)2)18(15,16)14-8-4-5-9-14/h6-7,10H,3-5,8-9H2,1-2H3

InChI Key

JTAAMCJPKWZGOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06634372

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

269.36

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

2.854

Distribution Coefficient, logD

2.854

Water Solubility, LogSw

-3.15

Polar Surface Area

39.526

Acid Dissociation Constant (pKa)

27.94

Base Dissociation Constant (pKb)

-3.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.80

Y050-1139 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with Y050-1139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y050-1139?
Check Price and Availability of Y050-1139, 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 Y050-1139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y050-1139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y050-1139
  • 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 Y050-1139 available by request