C798-1400 Screening compound: (2E)-2-[(2-methoxyphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acid

C798-1400 Screening compound: (2E)-2-[(2-methoxyphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acid
C798-1400 Screening compound: (2E)-2-[(2-methoxyphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C798-1400
(2E)-2-[(2-methoxyphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acid

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

C798-1400

Molecular Formula

C17H13NO5 (C17 H13 NO5)

Compound Name

(2E)-2-[(2-methoxyphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acid

IUPAC name

(2E)-2-[(2-methoxyphenyl)methylidene]-3-oxo-34-dihydro-2H-14-benzoxazine-6-carboxylic acid

SMILES

COc1c(/C=C2/Oc(ccc(C(O)=O)c3)c3NC2=O)cccc1

InChI

InChI=1S/C17H13NO5/c1-22-13-5-3-2-4-10(13)9-15-16(19)18-12-8-11(17(20)21)6-7-14(12)23-15/h2-9H,1H3,(H,18,19)(H,20,21)

InChI Key

LVOFEWXISBGHTH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14799299

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.29

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.482

Distribution Coefficient, logD

1.466

Water Solubility, LogSw

-3.78

Polar Surface Area

68.846

Acid Dissociation Constant (pKa)

5.39

Base Dissociation Constant (pKb)

-3.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

C798-1400 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C798-1400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C798-1400?
Check Price and Availability of C798-1400, 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 C798-1400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C798-1400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C798-1400
  • 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 C798-1400 available by request