8018-5952 Screening compound: 1-[4-methoxy-2-methyl-5-(propan-2-yl)benzenesulfonyl]pyrrolidine

8018-5952 Screening compound: 1-[4-methoxy-2-methyl-5-(propan-2-yl)benzenesulfonyl]pyrrolidine
8018-5952 Screening compound: 1-[4-methoxy-2-methyl-5-(propan-2-yl)benzenesulfonyl]pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-5952
1-[4-methoxy-2-methyl-5-(propan-2-yl)benzenesulfonyl]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

8018-5952

Molecular Formula

C15H23NO3S (C15 H23 NO3 S)

Compound Name

1-[4-methoxy-2-methyl-5-(propan-2-yl)benzenesulfonyl]pyrrolidine

IUPAC name

1-[4-methoxy-2-methyl-5-(propan-2-yl)benzenesulfonyl]pyrrolidine

SMILES

CC(C)c1cc(S(N2CCCC2)(=O)=O)c(C)cc1OC

InChI

InChI=1S/C15H23NO3S/c1-11(2)13-10-15(12(3)9-14(13)19-4)20(17,18)16-7-5-6-8-16/h9-11H,5-8H2,1-4H3

InChI Key

DDNYPGGPXHKNBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06633285

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

3.376

Distribution Coefficient, logD

3.376

Water Solubility, LogSw

-3.55

Polar Surface Area

39.946

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

-2.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

8018-5952 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

CNS MPO Library (28609 compounds)

Cardiovascular Library (22201 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
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-5952 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-5952?
Check Price and Availability of 8018-5952, 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 8018-5952 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-5952
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-5952
  • 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 8018-5952 available by request