E786-0896 Screening compound: ethyl 1-[3,4-dioxo-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-1-en-1-yl]piperidine-4-carboxylate

E786-0896 Screening compound: ethyl 1-[3,4-dioxo-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-1-en-1-yl]piperidine-4-carboxylate
E786-0896 Screening compound: ethyl 1-[3,4-dioxo-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-1-en-1-yl]piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E786-0896
ethyl 1-[3,4-dioxo-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-1-en-1-yl]piperidine-4-carboxylate

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

E786-0896

Molecular Formula

C20H20N2O6 (C20 H20 N2 O6)

Compound Name

ethyl 1-[3,4-dioxo-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-1-en-1-yl]piperidine-4-carboxylate

IUPAC name

ethyl 1-[34-dioxo-2-(3-oxo-34-dihydro-2H-14-benzoxazin-7-yl)cyclobut-1-en-1-yl]piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(C(C1=O)=O)=C1c(cc1)cc(OC2)c1NC2=O)=O

InChI

InChI=1S/C20H20N2O6/c1-2-27-20(26)11-5-7-22(8-6-11)17-16(18(24)19(17)25)12-3-4-13-14(9-12)28-10-15(23)21-13/h3-4,9,11H,2,5-8,10H2,1H3,(H,21,23)

InChI Key

AGVSKDACLQUGKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14918735

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.39

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.839

Distribution Coefficient, logD

1.839

Water Solubility, LogSw

-2.49

Polar Surface Area

84.177

Acid Dissociation Constant (pKa)

11.59

Base Dissociation Constant (pKb)

1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

E786-0896 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CNS MPO Library (28609 compounds)

KRAS-Targeted Library (16000 compounds)

Antibacterial Compounds Library (13827 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Infections
  • Immune system
  • animal
  • Cancer
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with E786-0896 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E786-0896?
Check Price and Availability of E786-0896, 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 E786-0896 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E786-0896
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E786-0896
  • 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 E786-0896 available by request