3976-0280 Screening compound: 3-(2-methoxyphenyl)-6-[(1E)-2-phenyldiazen-1-yl]-3,4-dihydro-2H-1,3-benzoxazine

3976-0280 Screening compound: 3-(2-methoxyphenyl)-6-[(1E)-2-phenyldiazen-1-yl]-3,4-dihydro-2H-1,3-benzoxazine
3976-0280 Screening compound: 3-(2-methoxyphenyl)-6-[(1E)-2-phenyldiazen-1-yl]-3,4-dihydro-2H-1,3-benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3976-0280
3-(2-methoxyphenyl)-6-[(1E)-2-phenyldiazen-1-yl]-3,4-dihydro-2H-1,3-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

3976-0280

Molecular Formula

C21H19N3O2 (C21 H19 N3 O2)

Compound Name

3-(2-methoxyphenyl)-6-[(1E)-2-phenyldiazen-1-yl]-3,4-dihydro-2H-1,3-benzoxazine

IUPAC name

3-(2-methoxyphenyl)-6-[(1E)-2-phenyldiazen-1-yl]-34-dihydro-2H-13-benzoxazine

SMILES

COc(cccc1)c1N(C1)COc(cc2)c1cc2/N=N/c1ccccc1

InChI

InChI=1S/C21H19N3O2/c1-25-21-10-6-5-9-19(21)24-14-16-13-18(11-12-20(16)26-15-24)23-22-17-7-3-2-4-8-17/h2-13H,14-15H2,1H3

InChI Key

CKBAJXICUIYUHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02235518

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.247

Distribution Coefficient, logD

5.247

Water Solubility, LogSw

-5.19

Polar Surface Area

41.559

Acid Dissociation Constant (pKa)

26.59

Base Dissociation Constant (pKb)

2.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with 3976-0280 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3976-0280?
Check Price and Availability of 3976-0280, 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 3976-0280 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3976-0280
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3976-0280
  • 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 3976-0280 available by request