8017-0677 Screening compound: 2-methyl-2,3-dihydro-1H-naphtho[1,2-e][1,3]oxazine

8017-0677 Screening compound: 2-methyl-2,3-dihydro-1H-naphtho[1,2-e][1,3]oxazine
8017-0677 Screening compound: 2-methyl-2,3-dihydro-1H-naphtho[1,2-e][1,3]oxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-0677
2-methyl-2,3-dihydro-1H-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

8017-0677

Molecular Formula

C13H13NO (C13 H13 NO)

Compound Name

2-methyl-2,3-dihydro-1H-naphtho[1,2-e][1,3]oxazine

IUPAC name

2-methyl-1H2H3H-naphtho[12-e][13]oxazine

SMILES

CN(C1)COc2c1c1ccccc1cc2

InChI

InChI=1S/C13H13NO/c1-14-8-12-11-5-3-2-4-10(11)6-7-13(12)15-9-14/h2-7H,8-9H2,1H3

InChI Key

MYKQUUUIXIFUMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01426764

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

199.25

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.797

Distribution Coefficient, logD

2.157

Water Solubility, LogSw

-3.26

Polar Surface Area

12.487

Acid Dissociation Constant (pKa)

27.54

Base Dissociation Constant (pKb)

7.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.08

8017-0677 in Drug Discovery

Included in Screening Libraries

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

Human Transcription Factors Annotated Library (5098 compounds)

Akt-Targeted Library (14764 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8017-0677 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-0677?
Check Price and Availability of 8017-0677, 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 8017-0677 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-0677
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-0677
  • 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 8017-0677 available by request