F531-0989 Screening compound: (2E)-1-{4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl}-3-(thiophen-2-yl)prop-2-en-1-one

F531-0989 Screening compound: (2E)-1-{4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl}-3-(thiophen-2-yl)prop-2-en-1-one
F531-0989 Screening compound: (2E)-1-{4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl}-3-(thiophen-2-yl)prop-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F531-0989
(2E)-1-{4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl}-3-(thiophen-2-yl)prop-2-en-1-one

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

F531-0989

Molecular Formula

C23H24N4O2S (C23 H24 N4 O2 S)

Compound Name

(2E)-1-{4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl}-3-(thiophen-2-yl)prop-2-en-1-one

IUPAC name

(2E)-1-{4-[4-(5-cyclobutyl-124-oxadiazol-3-yl)phenyl]piperazin-1-yl}-3-(thiophen-2-yl)prop-2-en-1-one

SMILES

O=C(/C=C/c1cccs1)N(CC1)CCN1c(cc1)ccc1-c1noc(C2CCC2)n1

InChI

InChI=1S/C23H24N4O2S/c28-21(11-10-20-5-2-16-30-20)27-14-12-26(13-15-27)19-8-6-17(7-9-19)22-24-23(29-25-22)18-3-1-4-18/h2,5-11,16,18H,1,3-4,12-15H2

InChI Key

VBUWBVSAFXRXNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27172929

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.350

Distribution Coefficient, logD

4.350

Water Solubility, LogSw

-4.31

Polar Surface Area

52.567

Acid Dissociation Constant (pKa)

26.82

Base Dissociation Constant (pKb)

3.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

F531-0989 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds
  • 3D
  • Fragments
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F531-0989 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F531-0989?
Check Price and Availability of F531-0989, 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 F531-0989 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F531-0989
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F531-0989
  • 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 F531-0989 available by request