P657-0850 Screening compound: 1-{[5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)furan-2-yl]sulfonyl}-4-(4-fluorophenyl)piperazine

P657-0850 Screening compound: 1-{[5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)furan-2-yl]sulfonyl}-4-(4-fluorophenyl)piperazine
P657-0850 Screening compound: 1-{[5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)furan-2-yl]sulfonyl}-4-(4-fluorophenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound P657-0850
1-{[5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)furan-2-yl]sulfonyl}-4-(4-fluorophenyl)piperazine

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

P657-0850

Molecular Formula

C20H21FN4O4S (C20 H21 FN4 O4 S)

Compound Name

1-{[5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)furan-2-yl]sulfonyl}-4-(4-fluorophenyl)piperazine

IUPAC name

1-{[5-(5-cyclobutyl-134-oxadiazol-2-yl)furan-2-yl]sulfonyl}-4-(4-fluorophenyl)piperazine

SMILES

O=S(c1ccc(-c2nnc(C3CCC3)o2)o1)(N(CC1)CCN1c(cc1)ccc1F)=O

InChI

InChI=1S/C20H21FN4O4S/c21-15-4-6-16(7-5-15)24-10-12-25(13-11-24)30(26,27)18-9-8-17(28-18)20-23-22-19(29-20)14-2-1-3-14/h4-9,14H,1-3,10-13H2

InChI Key

RYSOROQMZCXTDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27609519

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.063

Distribution Coefficient, logD

3.063

Water Solubility, LogSw

-3.14

Polar Surface Area

74.868

Acid Dissociation Constant (pKa)

26.75

Base Dissociation Constant (pKb)

1.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

P657-0850 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Epigenetic
  • PPI modulators
Structure:
  • Mimetics
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with P657-0850 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P657-0850?
Check Price and Availability of P657-0850, 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 P657-0850 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P657-0850
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P657-0850
  • 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 P657-0850 available by request