3226-0477 Screening compound: 3-(6,7-DIMETHOXY-4-OXO-4H-3,1-BENZOXAZIN-2-YL)PHENYL ACETATE

3226-0477 Screening compound: 3-(6,7-DIMETHOXY-4-OXO-4H-3,1-BENZOXAZIN-2-YL)PHENYL ACETATE
3226-0477 Screening compound: 3-(6,7-DIMETHOXY-4-OXO-4H-3,1-BENZOXAZIN-2-YL)PHENYL ACETATE alternative view

Chemical Structure Depiction of ChemDiv screening compound 3226-0477
3-(6,7-DIMETHOXY-4-OXO-4H-3,1-BENZOXAZIN-2-YL)PHENYL ACETATE

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

3226-0477

Molecular Formula

C18H15NO6 (C18 H15 NO6)

Compound Name

3-(6,7-DIMETHOXY-4-OXO-4H-3,1-BENZOXAZIN-2-YL)PHENYL ACETATE

IUPAC name

n/a

SMILES

CC(Oc1cccc(C(O2)=Nc(cc(c(OC)c3)OC)c3C2=O)c1)=O

InChI

InChI=1S/C18H15NO6/c1-10(20)24-12-6-4-5-11(7-12)17-19-14-9-16(23-3)15(22-2)8-13(14)18(21)25-17/h4-9H,1-3H3

InChI Key

AKADXAMNCQAQFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01797546

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.32

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.132

Distribution Coefficient, logD

2.132

Water Solubility, LogSw

-2.89

Polar Surface Area

66.197

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

3226-0477 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

STING Agonist Library (5895 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3226-0477 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3226-0477?
Check Price and Availability of 3226-0477, 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 3226-0477 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3226-0477
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3226-0477
  • 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 3226-0477 available by request