4578-0434 Screening compound: (2E)-2-cyano-N-(4-ethoxyphenyl)-3-(2-methyl-2H-chromen-3-yl)prop-2-enamide

4578-0434 Screening compound: (2E)-2-cyano-N-(4-ethoxyphenyl)-3-(2-methyl-2H-chromen-3-yl)prop-2-enamide
4578-0434 Screening compound: (2E)-2-cyano-N-(4-ethoxyphenyl)-3-(2-methyl-2H-chromen-3-yl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4578-0434
(2E)-2-cyano-N-(4-ethoxyphenyl)-3-(2-methyl-2H-chromen-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

4578-0434

Molecular Formula

C22H20N2O3 (C22 H20 N2 O3)

Compound Name

(2E)-2-cyano-N-(4-ethoxyphenyl)-3-(2-methyl-2H-chromen-3-yl)prop-2-enamide

IUPAC name

(2E)-2-cyano-N-(4-ethoxyphenyl)-3-(2-methyl-2H-chromen-3-yl)prop-2-enamide

SMILES

CCOc(cc1)ccc1NC(/C(/C#N)=C/C1=Cc(cccc2)c2OC1C)=O

InChI

InChI=1S/C22H20N2O3/c1-3-26-20-10-8-19(9-11-20)24-22(25)18(14-23)13-17-12-16-6-4-5-7-21(16)27-15(17)2/h4-13,15H,3H2,1-2H3,(H,24,25)/t15-/m0/s1

InChI Key

FTWOHCPLHFTOQX-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD03226017

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.734

Distribution Coefficient, logD

4.635

Water Solubility, LogSw

-4.30

Polar Surface Area

55.161

Acid Dissociation Constant (pKa)

8.00

Base Dissociation Constant (pKb)

-2.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

4578-0434 in Drug Discovery

Included in Screening Libraries

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 4578-0434 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4578-0434?
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What is the minimum amount of 4578-0434 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4578-0434
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4578-0434
  • 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 4578-0434 available by request