3952-0948 Screening compound: 4-(6-chloro-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate

3952-0948 Screening compound: 4-(6-chloro-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate
3952-0948 Screening compound: 4-(6-chloro-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3952-0948
4-(6-chloro-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

3952-0948

Molecular Formula

C16H10ClNO4 (C16 H10 ClNO4)

Compound Name

4-(6-chloro-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate

IUPAC name

4-(6-chloro-4-oxo-4H-31-benzoxazin-2-yl)phenyl acetate

SMILES

CC(Oc(cc1)ccc1C(O1)=Nc(ccc(Cl)c2)c2C1=O)=O

InChI

InChI=1S/C16H10ClNO4/c1-9(19)21-12-5-2-10(3-6-12)15-18-14-7-4-11(17)8-13(14)16(20)22-15/h2-8H,1H3

InChI Key

FHCVCZRYGXZWTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01604832

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.71

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.815

Distribution Coefficient, logD

2.815

Water Solubility, LogSw

-3.73

Polar Surface Area

50.937

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

3952-0948 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3952-0948 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3952-0948?
Check Price and Availability of 3952-0948, 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 3952-0948 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3952-0948
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3952-0948
  • 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 3952-0948 available by request