8005-2266 Screening compound: 2-{2-[2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenoxy]phenyl}-4H-3,1-benzoxazin-4-one

8005-2266 Screening compound: 2-{2-[2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenoxy]phenyl}-4H-3,1-benzoxazin-4-one
8005-2266 Screening compound: 2-{2-[2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenoxy]phenyl}-4H-3,1-benzoxazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-2266
2-{2-[2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenoxy]phenyl}-4H-3,1-benzoxazin-4-one

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

8005-2266

Molecular Formula

C28H16N2O5 (C28 H16 N2 O5)

Compound Name

2-{2-[2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenoxy]phenyl}-4H-3,1-benzoxazin-4-one

IUPAC name

2-{2-[2-(4-oxo-4H-31-benzoxazin-2-yl)phenoxy]phenyl}-4H-31-benzoxazin-4-one

SMILES

O=C1OC(c(cccc2)c2Oc(cccc2)c2C(O2)=Nc(cccc3)c3C2=O)=Nc2c1cccc2

InChI

InChI=1S/C28H16N2O5/c31-27-17-9-1-5-13-21(17)29-25(34-27)19-11-3-7-15-23(19)33-24-16-8-4-12-20(24)26-30-22-14-6-2-10-18(22)28(32)35-26/h1-16H

InChI Key

OZTDBWOKDNFYRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00316885

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.570

Distribution Coefficient, logD

4.570

Water Solubility, LogSw

-4.73

Polar Surface Area

67.054

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

1.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8005-2266 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8005-2266 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-2266?
Check Price and Availability of 8005-2266, 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 8005-2266 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-2266
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-2266
  • 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 8005-2266 available by request