8020-4114 Screening compound: (2Z)-2-[cyano(phenyl)methylidene]-4-hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6,7-dicarbonitrile

8020-4114 Screening compound: (2Z)-2-[cyano(phenyl)methylidene]-4-hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6,7-dicarbonitrile
8020-4114 Screening compound: (2Z)-2-[cyano(phenyl)methylidene]-4-hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6,7-dicarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-4114
(2Z)-2-[cyano(phenyl)methylidene]-4-hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6,7-dicarbonitrile

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

8020-4114

Molecular Formula

C18H8N4O3 (C18 H8 N4 O3)

Compound Name

(2Z)-2-[cyano(phenyl)methylidene]-4-hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6,7-dicarbonitrile

IUPAC name

(2Z)-2-[cyano(phenyl)methylidene]-4-hydroxy-3-oxo-34-dihydro-2H-14-benzoxazine-67-dicarbonitrile

SMILES

N#C/C(/c1ccccc1)=C(/C1=O)\Oc(cc(c(C#N)c2)C#N)c2N1O

InChI

InChI=1S/C18H8N4O3/c19-8-12-6-15-16(7-13(12)9-20)25-17(18(23)22(15)24)14(10-21)11-4-2-1-3-5-11/h1-7,24H

InChI Key

JMEKVURCSODONY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD25975686

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.29

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.661

Distribution Coefficient, logD

0.014

Water Solubility, LogSw

-2.51

Polar Surface Area

92.406

Acid Dissociation Constant (pKa)

5.76

Base Dissociation Constant (pKb)

-9.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 8020-4114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-4114?
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What is the minimum amount of 8020-4114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-4114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-4114
  • 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 8020-4114 available by request