D400-6968 Screening compound: 5-[2-ethoxy-5-(pyrrolidine-1-sulfonyl)phenyl]-3-methyl-1,2,4-oxadiazole

D400-6968 Screening compound: 5-[2-ethoxy-5-(pyrrolidine-1-sulfonyl)phenyl]-3-methyl-1,2,4-oxadiazole
D400-6968 Screening compound: 5-[2-ethoxy-5-(pyrrolidine-1-sulfonyl)phenyl]-3-methyl-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D400-6968
5-[2-ethoxy-5-(pyrrolidine-1-sulfonyl)phenyl]-3-methyl-1,2,4-oxadiazole

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

D400-6968

Molecular Formula

C15H19N3O4S (C15 H19 N3 O4 S)

Compound Name

5-[2-ethoxy-5-(pyrrolidine-1-sulfonyl)phenyl]-3-methyl-1,2,4-oxadiazole

IUPAC name

5-[2-ethoxy-5-(pyrrolidine-1-sulfonyl)phenyl]-3-methyl-124-oxadiazole

SMILES

CCOc(ccc(S(N1CCCC1)(=O)=O)c1)c1-c1nc(C)no1

InChI

InChI=1S/C15H19N3O4S/c1-3-21-14-7-6-12(23(19,20)18-8-4-5-9-18)10-13(14)15-16-11(2)17-22-15/h6-7,10H,3-5,8-9H2,1-2H3

InChI Key

JMAFTQBJQQVVBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD21610544

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.243

Distribution Coefficient, logD

2.243

Water Solubility, LogSw

-2.84

Polar Surface Area

70.816

Acid Dissociation Constant (pKa)

27.94

Base Dissociation Constant (pKb)

-4.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

D400-6968 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

GPCR Targeted Library (31838 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D400-6968 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D400-6968?
Check Price and Availability of D400-6968, 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 D400-6968 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D400-6968
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D400-6968
  • 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 D400-6968 available by request