8005-2398 Screening compound: 2-methyl-4,4-diphenyl-4H-3,1-benzoxazine

8005-2398 Screening compound: 2-methyl-4,4-diphenyl-4H-3,1-benzoxazine
8005-2398 Screening compound: 2-methyl-4,4-diphenyl-4H-3,1-benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-2398
2-methyl-4,4-diphenyl-4H-3,1-benzoxazine

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

8005-2398

Molecular Formula

C21H17NO (C21 H17 NO)

Compound Name

2-methyl-4,4-diphenyl-4H-3,1-benzoxazine

IUPAC name

2-methyl-44-diphenyl-4H-31-benzoxazine

SMILES

CC(OC1(c2ccccc2)c2ccccc2)=Nc2c1cccc2

InChI

InChI=1S/C21H17NO/c1-16-22-20-15-9-8-14-19(20)21(23-16,17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15H,1H3

InChI Key

NIGGAKMUVOEAEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00541932

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.37

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.891

Distribution Coefficient, logD

4.875

Water Solubility, LogSw

-4.75

Polar Surface Area

15.066

Acid Dissociation Constant (pKa)

25.70

Base Dissociation Constant (pKb)

5.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

8005-2398 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

CNS BBB Library (22607 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Cancer
Agro:
  • Agro
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 8005-2398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-2398?
Check Price and Availability of 8005-2398, 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 8005-2398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-2398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-2398
  • 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 8005-2398 available by request