F892-0651 Screening compound: (2E)-N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide

F892-0651 Screening compound: (2E)-N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
F892-0651 Screening compound: (2E)-N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F892-0651
(2E)-N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide

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

F892-0651

Molecular Formula

C22H23N3O4S (C22 H23 N3 O4 S)

Compound Name

(2E)-N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide

IUPAC name

(2E)-N-[5-(5-cyclobutyl-124-oxadiazol-3-yl)-2-methylthiophen-3-yl]-3-(34-dimethoxyphenyl)prop-2-enamide

SMILES

Cc(sc(-c1noc(C2CCC2)n1)c1)c1NC(/C=C/c(cc1)cc(OC)c1OC)=O

InChI

InChI=1S/C22H23N3O4S/c1-13-16(12-19(30-13)21-24-22(29-25-21)15-5-4-6-15)23-20(26)10-8-14-7-9-17(27-2)18(11-14)28-3/h7-12,15H,4-6H2,1-3H3,(H,23,26)

InChI Key

XDMAVIKPJANIDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27202366

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.982

Distribution Coefficient, logD

4.982

Water Solubility, LogSw

-4.73

Polar Surface Area

70.627

Acid Dissociation Constant (pKa)

12.88

Base Dissociation Constant (pKb)

-1.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

F892-0651 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

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

References: we are preparing a list of scientific research reports with F892-0651 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F892-0651?
Check Price and Availability of F892-0651, 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 F892-0651 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F892-0651
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F892-0651
  • 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 F892-0651 available by request