G856-7466 Screening compound: (2Z)-3-(2H-1,3-benzodioxol-5-yl)-N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]prop-2-enamide

G856-7466 Screening compound: (2Z)-3-(2H-1,3-benzodioxol-5-yl)-N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]prop-2-enamide
G856-7466 Screening compound: (2Z)-3-(2H-1,3-benzodioxol-5-yl)-N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-7466
(2Z)-3-(2H-1,3-benzodioxol-5-yl)-N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]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

G856-7466

Molecular Formula

C20H17FN2O4 (C20 H17 FN2 O4)

Compound Name

(2Z)-3-(2H-1,3-benzodioxol-5-yl)-N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]prop-2-enamide

IUPAC name

(2Z)-3-(2H-13-benzodioxol-5-yl)-N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]prop-2-enamide

SMILES

O=C(/C=C\c(cc1)cc2c1OCO2)NC(CC1=O)CN1c1cccc(F)c1

InChI

InChI=1S/C20H17FN2O4/c21-14-2-1-3-16(9-14)23-11-15(10-20(23)25)22-19(24)7-5-13-4-6-17-18(8-13)27-12-26-17/h1-9,15H,10-12H2,(H,22,24)/t15-/m1/s1

InChI Key

BVMDRKGMMLXHTP-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD06730866

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.998

Distribution Coefficient, logD

2.998

Water Solubility, LogSw

-3.27

Polar Surface Area

57.837

Acid Dissociation Constant (pKa)

14.12

Base Dissociation Constant (pKb)

0.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

G856-7466 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Human Proteases Annotated Library (2868 compounds)

KRAS-Targeted Library (16000 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with G856-7466 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-7466?
Check Price and Availability of G856-7466, 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 G856-7466 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-7466
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-7466
  • 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 G856-7466 available by request