4175-0196 Screening compound: (2E)-2-cyano-3-[4-(2,3-dihydro-1H-isoindol-2-yl)phenyl]-N-[(furan-2-yl)methyl]prop-2-enamide

4175-0196 Screening compound: (2E)-2-cyano-3-[4-(2,3-dihydro-1H-isoindol-2-yl)phenyl]-N-[(furan-2-yl)methyl]prop-2-enamide
4175-0196 Screening compound: (2E)-2-cyano-3-[4-(2,3-dihydro-1H-isoindol-2-yl)phenyl]-N-[(furan-2-yl)methyl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4175-0196
(2E)-2-cyano-3-[4-(2,3-dihydro-1H-isoindol-2-yl)phenyl]-N-[(furan-2-yl)methyl]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

4175-0196

Molecular Formula

C23H19N3O2 (C23 H19 N3 O2)

Compound Name

(2E)-2-cyano-3-[4-(2,3-dihydro-1H-isoindol-2-yl)phenyl]-N-[(furan-2-yl)methyl]prop-2-enamide

IUPAC name

(2E)-2-cyano-3-[4-(23-dihydro-1H-isoindol-2-yl)phenyl]-N-[(furan-2-yl)methyl]prop-2-enamide

SMILES

N#C/C(/C(NCc1ccco1)=O)=C\c(cc1)ccc1N(C1)Cc2c1cccc2

InChI

InChI=1S/C23H19N3O2/c24-13-20(23(27)25-14-22-6-3-11-28-22)12-17-7-9-21(10-8-17)26-15-18-4-1-2-5-19(18)16-26/h1-12H,14-16H2,(H,25,27)

InChI Key

RFSIVFPPJMRHOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02227800

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.444

Distribution Coefficient, logD

4.444

Water Solubility, LogSw

-4.44

Polar Surface Area

52.871

Acid Dissociation Constant (pKa)

10.24

Base Dissociation Constant (pKb)

10.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

4175-0196 in Drug Discovery

Included in Screening Libraries

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

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 4175-0196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4175-0196?
Check Price and Availability of 4175-0196, 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 4175-0196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4175-0196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4175-0196
  • 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 4175-0196 available by request