8018-5625 Screening compound: 12H-[1,3]benzoxazolo[2,3-b]quinazolin-12-one

8018-5625 Screening compound: 12H-[1,3]benzoxazolo[2,3-b]quinazolin-12-one
8018-5625 Screening compound: 12H-[1,3]benzoxazolo[2,3-b]quinazolin-12-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-5625
12H-[1,3]benzoxazolo[2,3-b]quinazolin-12-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

8018-5625

Molecular Formula

C14H8N2O2 (C14 H8 N2 O2)

Compound Name

12H-[1,3]benzoxazolo[2,3-b]quinazolin-12-one

IUPAC name

17-oxa-210-diazatetracyclo[8.7.0.0^{38}.0^{1116}]heptadeca-13(8)46111315-heptaen-9-one

SMILES

O=C1N(c(cccc2)c2O2)C2=Nc2c1cccc2

InChI

InChI=1S/C14H8N2O2/c17-13-9-5-1-2-6-10(9)15-14-16(13)11-7-3-4-8-12(11)18-14/h1-8H

InChI Key

HINUIMNQFYZLFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07626777

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

236.23

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.459

Distribution Coefficient, logD

1.459

Water Solubility, LogSw

-2.03

Polar Surface Area

32.713

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8018-5625 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Annotated Library (21441 compounds)

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

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8018-5625 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-5625?
Check Price and Availability of 8018-5625, 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 8018-5625 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-5625
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-5625
  • 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 8018-5625 available by request