8020-4361 Screening compound: 5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-2,1,4-benzoxadiazine

8020-4361 Screening compound: 5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-2,1,4-benzoxadiazine
8020-4361 Screening compound: 5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-2,1,4-benzoxadiazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-4361
5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-2,1,4-benzoxadiazine

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

8020-4361

Molecular Formula

C15H11F3N2O (C15 H11 F3 N2 O)

Compound Name

5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-2,1,4-benzoxadiazine

IUPAC name

5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-214-benzoxadiazine

SMILES

Cc1cccc2c1N=C(c1ccc(C(F)(F)F)cc1)ON2

InChI

InChI=1S/C15H11F3N2O/c1-9-3-2-4-12-13(9)19-14(21-20-12)10-5-7-11(8-6-10)15(16,17)18/h2-8,20H,1H3

InChI Key

RGKIMSPDUWAPSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD25975753

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.26

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.632

Distribution Coefficient, logD

3.632

Water Solubility, LogSw

-3.79

Polar Surface Area

31.056

Acid Dissociation Constant (pKa)

17.41

Base Dissociation Constant (pKb)

4.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

8020-4361 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8020-4361 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-4361?
Check Price and Availability of 8020-4361, 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 8020-4361 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-4361
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-4361
  • 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 8020-4361 available by request