8012-6246 Screening compound: 4-ethyl-2-(4-nitrophenyl)-4H-3,1-benzoxazine

8012-6246 Screening compound: 4-ethyl-2-(4-nitrophenyl)-4H-3,1-benzoxazine
8012-6246 Screening compound: 4-ethyl-2-(4-nitrophenyl)-4H-3,1-benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-6246
4-ethyl-2-(4-nitrophenyl)-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

8012-6246

Molecular Formula

C16H14N2O3 (C16 H14 N2 O3)

Compound Name

4-ethyl-2-(4-nitrophenyl)-4H-3,1-benzoxazine

IUPAC name

4-ethyl-2-(4-nitrophenyl)-4H-31-benzoxazine

SMILES

CCC1OC(c(cc2)ccc2[N+]([O-])=O)=Nc2c1cccc2

InChI

InChI=1S/C16H14N2O3/c1-2-15-13-5-3-4-6-14(13)17-16(21-15)11-7-9-12(10-8-11)18(19)20/h3-10,15H,2H2,1H3/t15-/m0/s1

InChI Key

DOHZITNPBBDZMT-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD03034371

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.960

Distribution Coefficient, logD

3.938

Water Solubility, LogSw

-4.11

Polar Surface Area

50.491

Acid Dissociation Constant (pKa)

21.57

Base Dissociation Constant (pKb)

6.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.80

8012-6246 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8012-6246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-6246?
Check Price and Availability of 8012-6246, 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 8012-6246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-6246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-6246
  • 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 8012-6246 available by request