S427-0035 Screening compound: {3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidino}{5-[(3,5-dimethyl-4-isoxazolyl)methyl]-2-furyl}methanone

S427-0035 Screening compound: {3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidino}{5-[(3,5-dimethyl-4-isoxazolyl)methyl]-2-furyl}methanone
S427-0035 Screening compound: {3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidino}{5-[(3,5-dimethyl-4-isoxazolyl)methyl]-2-furyl}methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S427-0035
{3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidino}{5-[(3,5-dimethyl-4-isoxazolyl)methyl]-2-furyl}methanone

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

S427-0035

Molecular Formula

C22H26N4O4 (C22 H26 N4 O4)

Compound Name

{3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidino}{5-[(3,5-dimethyl-4-isoxazolyl)methyl]-2-furyl}methanone

IUPAC name

3-[(5-cyclopropyl-124-oxadiazol-3-yl)methyl]-1-{5-[(35-dimethyl-12-oxazol-4-yl)methyl]furan-2-carbonyl}piperidine

SMILES

Cc1noc(C)c1Cc1ccc(C(N2CC(Cc3noc(C4CC4)n3)CCC2)=O)o1

InChI

InChI=1S/C22H26N4O4/c1-13-18(14(2)29-24-13)11-17-7-8-19(28-17)22(27)26-9-3-4-15(12-26)10-20-23-21(30-25-20)16-5-6-16/h7-8,15-16H,3-6,9-12H2,1-2H3/t15-/m1/s1

InChI Key

PRZHWXHCGXWWGF-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD29006521

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.894

Distribution Coefficient, logD

3.894

Water Solubility, LogSw

-4.10

Polar Surface Area

79.348

Acid Dissociation Constant (pKa)

24.36

Base Dissociation Constant (pKb)

0.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.54

S427-0035 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

GPCR Targeted Library (31838 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S427-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S427-0035?
Check Price and Availability of S427-0035, 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 S427-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S427-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S427-0035
  • 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 S427-0035 available by request