3391-6648 Screening compound: 6,7-dimethoxy-2-(3-methylphenyl)-4H-3,1-benzoxazin-4-one

3391-6648 Screening compound: 6,7-dimethoxy-2-(3-methylphenyl)-4H-3,1-benzoxazin-4-one
3391-6648 Screening compound: 6,7-dimethoxy-2-(3-methylphenyl)-4H-3,1-benzoxazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3391-6648
6,7-dimethoxy-2-(3-methylphenyl)-4H-3,1-benzoxazin-4-one

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

3391-6648

Molecular Formula

C17H15NO4 (C17 H15 NO4)

Compound Name

6,7-dimethoxy-2-(3-methylphenyl)-4H-3,1-benzoxazin-4-one

IUPAC name

67-dimethoxy-2-(3-methylphenyl)-4H-31-benzoxazin-4-one

SMILES

Cc1cccc(C(O2)=Nc(cc(c(OC)c3)OC)c3C2=O)c1

InChI

InChI=1S/C17H15NO4/c1-10-5-4-6-11(7-10)16-18-13-9-15(21-3)14(20-2)8-12(13)17(19)22-16/h4-9H,1-3H3

InChI Key

LUILEMVFUKHZIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01945167

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.31

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

3.029

Distribution Coefficient, logD

3.029

Water Solubility, LogSw

-3.49

Polar Surface Area

45.446

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

3391-6648 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

STING Agonist Library (5895 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
Targets:
  • Others
  • Proteases

References: we are preparing a list of scientific research reports with 3391-6648 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3391-6648?
Check Price and Availability of 3391-6648, 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 3391-6648 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3391-6648
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3391-6648
  • 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 3391-6648 available by request