3976-0236 Screening compound: 8-bromo-2-(3-nitrophenyl)-1H,2H,3H-naphtho[1,2-e][1,3]oxazine

3976-0236 Screening compound: 8-bromo-2-(3-nitrophenyl)-1H,2H,3H-naphtho[1,2-e][1,3]oxazine
3976-0236 Screening compound: 8-bromo-2-(3-nitrophenyl)-1H,2H,3H-naphtho[1,2-e][1,3]oxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3976-0236
8-bromo-2-(3-nitrophenyl)-1H,2H,3H-naphtho[1,2-e][1,3]oxazine

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

3976-0236

Molecular Formula

C18H13BrN2O3 (C18 H13 BrN2 O3)

Compound Name

8-bromo-2-(3-nitrophenyl)-1H,2H,3H-naphtho[1,2-e][1,3]oxazine

IUPAC name

8-bromo-2-(3-nitrophenyl)-1H2H3H-naphtho[12-e][13]oxazine

SMILES

[O-][N+](c1cccc(N2COc3ccc(cc(cc4)Br)c4c3C2)c1)=O

InChI

InChI=1S/C18H13BrN2O3/c19-13-5-6-16-12(8-13)4-7-18-17(16)10-20(11-24-18)14-2-1-3-15(9-14)21(22)23/h1-9H,10-11H2

InChI Key

WGANYEQGMVODCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02240504

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.22

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.354

Distribution Coefficient, logD

5.354

Water Solubility, LogSw

-6.38

Polar Surface Area

45.653

Acid Dissociation Constant (pKa)

25.40

Base Dissociation Constant (pKb)

2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with 3976-0236 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3976-0236?
Check Price and Availability of 3976-0236, 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 3976-0236 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3976-0236
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3976-0236
  • 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 3976-0236 available by request