L286-0061 Screening compound: 1-{2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]benzenesulfonyl}azepane

L286-0061 Screening compound: 1-{2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]benzenesulfonyl}azepane
L286-0061 Screening compound: 1-{2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]benzenesulfonyl}azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound L286-0061
1-{2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]benzenesulfonyl}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

L286-0061

Molecular Formula

C20H26N4O4S (C20 H26 N4 O4 S)

Compound Name

1-{2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]benzenesulfonyl}azepane

IUPAC name

1-{2-methyl-5-[5-(pyrrolidine-1-carbonyl)-124-oxadiazol-3-yl]benzenesulfonyl}azepane

SMILES

Cc(ccc(-c1noc(C(N2CCCC2)=O)n1)c1)c1S(N1CCCCCC1)(=O)=O

InChI

InChI=1S/C20H26N4O4S/c1-15-8-9-16(14-17(15)29(26,27)24-12-4-2-3-5-13-24)18-21-19(28-22-18)20(25)23-10-6-7-11-23/h8-9,14H,2-7,10-13H2,1H3

InChI Key

GPWVXSMZIHTMRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27240401

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.670

Distribution Coefficient, logD

3.670

Water Solubility, LogSw

-3.78

Polar Surface Area

80.972

Acid Dissociation Constant (pKa)

26.27

Base Dissociation Constant (pKb)

-4.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

L286-0061 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L286-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L286-0061?
Check Price and Availability of L286-0061, 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 L286-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L286-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L286-0061
  • 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 L286-0061 available by request