6468-0937 Screening compound: 4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl propanoate

6468-0937 Screening compound: 4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl propanoate
6468-0937 Screening compound: 4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6468-0937
4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl propanoate

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

6468-0937

Molecular Formula

C17H13NO4 (C17 H13 NO4)

Compound Name

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

IUPAC name

4-(4-oxo-4H-31-benzoxazin-2-yl)phenyl propanoate

SMILES

CCC(Oc(cc1)ccc1C(O1)=Nc(cccc2)c2C1=O)=O

InChI

InChI=1S/C17H13NO4/c1-2-15(19)21-12-9-7-11(8-10-12)16-18-14-6-4-3-5-13(14)17(20)22-16/h3-10H,2H2,1H3

InChI Key

MENQZABFWGUMEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03780714

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.29

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.851

Distribution Coefficient, logD

2.851

Water Solubility, LogSw

-3.61

Polar Surface Area

50.240

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

6468-0937 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

STING Agonist Library (5895 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
  • 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 6468-0937 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6468-0937?
Check Price and Availability of 6468-0937, 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 6468-0937 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6468-0937
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6468-0937
  • 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 6468-0937 available by request