F531-0052 Screening compound: (2E)-3-(3,4-dimethoxyphenyl)-1-{4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl}prop-2-en-1-one

F531-0052 Screening compound: (2E)-3-(3,4-dimethoxyphenyl)-1-{4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl}prop-2-en-1-one
F531-0052 Screening compound: (2E)-3-(3,4-dimethoxyphenyl)-1-{4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl}prop-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F531-0052
(2E)-3-(3,4-dimethoxyphenyl)-1-{4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-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

F531-0052

Molecular Formula

C24H26N4O4 (C24 H26 N4 O4)

Compound Name

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

IUPAC name

(2E)-3-(34-dimethoxyphenyl)-1-{4-[4-(5-methyl-124-oxadiazol-3-yl)phenyl]piperazin-1-yl}prop-2-en-1-one

SMILES

Cc1nc(-c(cc2)ccc2N(CC2)CCN2C(/C=C/c(cc2)cc(OC)c2OC)=O)no1

InChI

InChI=1S/C24H26N4O4/c1-17-25-24(26-32-17)19-6-8-20(9-7-19)27-12-14-28(15-13-27)23(29)11-5-18-4-10-21(30-2)22(16-18)31-3/h4-11,16H,12-15H2,1-3H3

InChI Key

XZFFUOZBBRPNAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27172629

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.593

Distribution Coefficient, logD

3.593

Water Solubility, LogSw

-3.70

Polar Surface Area

65.786

Acid Dissociation Constant (pKa)

28.55

Base Dissociation Constant (pKb)

3.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

F531-0052 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Eccentric PPI Library (11937 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Akt-Targeted Library (14764 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds
  • 3D
  • Fragments
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with F531-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F531-0052?
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What is the minimum amount of F531-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F531-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F531-0052
  • 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 F531-0052 available by request