8005-9199 Screening compound: 2,3-diphenyl-2H-1,4-benzoxazin-2-ol

8005-9199 Screening compound: 2,3-diphenyl-2H-1,4-benzoxazin-2-ol
8005-9199 Screening compound: 2,3-diphenyl-2H-1,4-benzoxazin-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-9199
2,3-diphenyl-2H-1,4-benzoxazin-2-ol

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

8005-9199

Molecular Formula

C20H15NO2 (C20 H15 NO2)

Compound Name

2,3-diphenyl-2H-1,4-benzoxazin-2-ol

IUPAC name

23-diphenyl-2H-14-benzoxazin-2-ol

SMILES

OC1(c2ccccc2)Oc(cccc2)c2N=C1c1ccccc1

InChI

InChI=1S/C20H15NO2/c22-20(16-11-5-2-6-12-16)19(15-9-3-1-4-10-15)21-17-13-7-8-14-18(17)23-20/h1-14,22H/t20-/m0/s1

InChI Key

IEMSNWKDTDMZQQ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD00469834

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.34

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.948

Distribution Coefficient, logD

1.805

Water Solubility, LogSw

-4.17

Polar Surface Area

31.408

Acid Dissociation Constant (pKa)

13.90

Base Dissociation Constant (pKb)

9.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

5.00

8005-9199 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 8005-9199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-9199?
Check Price and Availability of 8005-9199, 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 8005-9199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-9199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-9199
  • 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 8005-9199 available by request