5522-0171 Screening compound: 2-methoxy-4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate

5522-0171 Screening compound: 2-methoxy-4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate
5522-0171 Screening compound: 2-methoxy-4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5522-0171
2-methoxy-4-(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

5522-0171

Molecular Formula

C17H13NO5 (C17 H13 NO5)

Compound Name

2-methoxy-4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate

IUPAC name

2-methoxy-4-(4-oxo-4H-31-benzoxazin-2-yl)phenyl acetate

SMILES

CC(Oc(ccc(C(O1)=Nc(cccc2)c2C1=O)c1)c1OC)=O

InChI

InChI=1S/C17H13NO5/c1-10(19)22-14-8-7-11(9-15(14)21-2)16-18-13-6-4-3-5-12(13)17(20)23-16/h3-9H,1-2H3

InChI Key

JYFLUQOAUKCXKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02953589

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.29

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.198

Distribution Coefficient, logD

2.198

Water Solubility, LogSw

-3.01

Polar Surface Area

58.654

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

0.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

5522-0171 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-infective Library (19449 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
  • Infections
  • Immune system
  • animal
  • 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 5522-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5522-0171?
Check Price and Availability of 5522-0171, 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 5522-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5522-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5522-0171
  • 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 5522-0171 available by request