P657-0866 Screening compound: 2-cyclobutyl-5-[5-(pyrrolidine-1-sulfonyl)furan-2-yl]-1,3,4-oxadiazole

P657-0866 Screening compound: 2-cyclobutyl-5-[5-(pyrrolidine-1-sulfonyl)furan-2-yl]-1,3,4-oxadiazole
P657-0866 Screening compound: 2-cyclobutyl-5-[5-(pyrrolidine-1-sulfonyl)furan-2-yl]-1,3,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound P657-0866
2-cyclobutyl-5-[5-(pyrrolidine-1-sulfonyl)furan-2-yl]-1,3,4-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

P657-0866

Molecular Formula

C14H17N3O4S (C14 H17 N3 O4 S)

Compound Name

2-cyclobutyl-5-[5-(pyrrolidine-1-sulfonyl)furan-2-yl]-1,3,4-oxadiazole

IUPAC name

2-cyclobutyl-5-[5-(pyrrolidine-1-sulfonyl)furan-2-yl]-134-oxadiazole

SMILES

O=S(c1ccc(-c2nnc(C3CCC3)o2)o1)(N1CCCC1)=O

InChI

InChI=1S/C14H17N3O4S/c18-22(19,17-8-1-2-9-17)12-7-6-11(20-12)14-16-15-13(21-14)10-4-3-5-10/h6-7,10H,1-5,8-9H2

InChI Key

SHQRZJZTLXKNGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27609526

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.860

Distribution Coefficient, logD

1.860

Water Solubility, LogSw

-2.23

Polar Surface Area

71.974

Acid Dissociation Constant (pKa)

26.75

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

P657-0866 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS MPO Library (28609 compounds)

GPCR Targeted Library (31838 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 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
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • GPCR
  • Others
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • Epigenetic
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with P657-0866 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P657-0866?
Check Price and Availability of P657-0866, 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 P657-0866 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P657-0866
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P657-0866
  • 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 P657-0866 available by request