P658-0600 Screening compound: 4-benzyl-1-{[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)furan-2-yl]sulfonyl}piperidine

P658-0600 Screening compound: 4-benzyl-1-{[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)furan-2-yl]sulfonyl}piperidine
P658-0600 Screening compound: 4-benzyl-1-{[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)furan-2-yl]sulfonyl}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound P658-0600
4-benzyl-1-{[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)furan-2-yl]sulfonyl}piperidine

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

P658-0600

Molecular Formula

C21H23N3O4S (C21 H23 N3 O4 S)

Compound Name

4-benzyl-1-{[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)furan-2-yl]sulfonyl}piperidine

IUPAC name

4-benzyl-1-{[4-(5-cyclopropyl-134-oxadiazol-2-yl)furan-2-yl]sulfonyl}piperidine

SMILES

O=S(c1cc(-c2nnc(C3CC3)o2)co1)(N1CCC(Cc2ccccc2)CC1)=O

InChI

InChI=1S/C21H23N3O4S/c25-29(26,24-10-8-16(9-11-24)12-15-4-2-1-3-5-15)19-13-18(14-27-19)21-23-22-20(28-21)17-6-7-17/h1-5,13-14,16-17H,6-12H2

InChI Key

VWJBMKAHJZNYCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27609706

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.221

Distribution Coefficient, logD

4.221

Water Solubility, LogSw

-4.39

Polar Surface Area

72.603

Acid Dissociation Constant (pKa)

24.36

Base Dissociation Constant (pKb)

-0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

P658-0600 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)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 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 P658-0600 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P658-0600?
Check Price and Availability of P658-0600, 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 P658-0600 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P658-0600
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P658-0600
  • 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 P658-0600 available by request