Y020-5366 Screening compound: 2-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-oxobutanenitrile

Y020-5366 Screening compound: 2-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-oxobutanenitrile
Y020-5366 Screening compound: 2-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-oxobutanenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-5366
2-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-oxobutanenitrile

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

Y020-5366

Molecular Formula

C19H12N4O3 (C19 H12 N4 O3)

Compound Name

2-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-oxobutanenitrile

IUPAC name

2-(23-dihydro-1H-13-benzodiazol-2-ylidene)-4-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-3-oxobutanenitrile

SMILES

N#CC(C(CN(C(c1c2cccc1)=O)C2=O)=O)=C1Nc(cccc2)c2N1

InChI

InChI=1S/C19H12N4O3/c20-9-13(17-21-14-7-3-4-8-15(14)22-17)16(24)10-23-18(25)11-5-1-2-6-12(11)19(23)26/h1-8,21-22H,10H2

InChI Key

HGFHZYALKOCRIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02049908

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.012

Distribution Coefficient, logD

2.009

Water Solubility, LogSw

-2.89

Polar Surface Area

82.112

Acid Dissociation Constant (pKa)

9.65

Base Dissociation Constant (pKb)

-2.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

Y020-5366 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with Y020-5366 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-5366?
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What is the minimum amount of Y020-5366 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-5366
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-5366
  • 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 Y020-5366 available by request