Y020-5839 Screening compound: (4E)-2-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-3-oxo-5-phenylpent-4-enenitrile

Y020-5839 Screening compound: (4E)-2-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-3-oxo-5-phenylpent-4-enenitrile
Y020-5839 Screening compound: (4E)-2-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-3-oxo-5-phenylpent-4-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-5839
(4E)-2-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-3-oxo-5-phenylpent-4-enenitrile

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

Y020-5839

Molecular Formula

C18H13N3O (C18 H13 N3 O)

Compound Name

(4E)-2-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-3-oxo-5-phenylpent-4-enenitrile

IUPAC name

(4E)-2-(23-dihydro-1H-13-benzodiazol-2-ylidene)-3-oxo-5-phenylpent-4-enenitrile

SMILES

N#CC(C(/C=C/c1ccccc1)=O)=C1Nc(cccc2)c2N1

InChI

InChI=1S/C18H13N3O/c19-12-14(17(22)11-10-13-6-2-1-3-7-13)18-20-15-8-4-5-9-16(15)21-18/h1-11,20-21H

InChI Key

MAIDORGBMKMAMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03615531

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.32

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.542

Distribution Coefficient, logD

3.542

Water Solubility, LogSw

-3.59

Polar Surface Area

52.588

Acid Dissociation Constant (pKa)

10.66

Base Dissociation Constant (pKb)

-3.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

Y020-5839 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y020-5839 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-5839?
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What is the minimum amount of Y020-5839 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-5839
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-5839
  • 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 Y020-5839 available by request