4427-1195 Screening compound: ethyl 2-[(3Z)-2-oxo-3,4-dihydro-2H-1,4-benzoxazin-3-ylidene]acetate

4427-1195 Screening compound: ethyl 2-[(3Z)-2-oxo-3,4-dihydro-2H-1,4-benzoxazin-3-ylidene]acetate
4427-1195 Screening compound: ethyl 2-[(3Z)-2-oxo-3,4-dihydro-2H-1,4-benzoxazin-3-ylidene]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4427-1195
ethyl 2-[(3Z)-2-oxo-3,4-dihydro-2H-1,4-benzoxazin-3-ylidene]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

4427-1195

Molecular Formula

C12H11NO4 (C12 H11 NO4)

Compound Name

ethyl 2-[(3Z)-2-oxo-3,4-dihydro-2H-1,4-benzoxazin-3-ylidene]acetate

IUPAC name

ethyl 2-[(3Z)-2-oxo-34-dihydro-2H-14-benzoxazin-3-ylidene]acetate

SMILES

CCOC(/C=C1\Nc(cccc2)c2OC1=O)=O

InChI

InChI=1S/C12H11NO4/c1-2-16-11(14)7-9-12(15)17-10-6-4-3-5-8(10)13-9/h3-7,13H,2H2,1H3

InChI Key

JXNWQTNYOLHESU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02130944

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

233.22

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.276

Distribution Coefficient, logD

2.252

Water Solubility, LogSw

-2.77

Polar Surface Area

52.578

Acid Dissociation Constant (pKa)

8.64

Base Dissociation Constant (pKb)

-3.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

4427-1195 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4427-1195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4427-1195?
Check Price and Availability of 4427-1195, 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 4427-1195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4427-1195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4427-1195
  • 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 4427-1195 available by request