0825-0422 Screening compound: 2,4-dihydro-1H-3,1-benzoxazine-2,4-dione

0825-0422 Screening compound: 2,4-dihydro-1H-3,1-benzoxazine-2,4-dione
0825-0422 Screening compound: 2,4-dihydro-1H-3,1-benzoxazine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0825-0422
2,4-dihydro-1H-3,1-benzoxazine-2,4-dione

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

0825-0422

Molecular Formula

C8H5NO3 (C8 H5 NO3)

Compound Name

2,4-dihydro-1H-3,1-benzoxazine-2,4-dione

IUPAC name

24-dihydro-1H-31-benzoxazine-24-dione

SMILES

O=C(c(cccc1)c1N1)OC1=O

InChI

InChI=1S/C8H5NO3/c10-7-5-3-1-2-4-6(5)9-8(11)12-7/h1-4H,(H,9,11)

InChI Key

TXJUTRJFNRYTHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00006700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

163.13

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.351

Distribution Coefficient, logD

1.193

Water Solubility, LogSw

-1.99

Polar Surface Area

47.127

Acid Dissociation Constant (pKa)

7.76

Base Dissociation Constant (pKb)

-5.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0825-0422 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0825-0422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0825-0422?
Check Price and Availability of 0825-0422, 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 0825-0422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0825-0422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0825-0422
  • 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 0825-0422 available by request