F119-0542 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide

F119-0542 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
F119-0542 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F119-0542
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide

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

F119-0542

Molecular Formula

C18H16N2O5 (C18 H16 N2 O5)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-4-methyl-3-oxo-34-dihydro-2H-14-benzoxazine-6-carboxamide

SMILES

CN1c(cc(cc2)C(Nc(cc3)cc4c3OCCO4)=O)c2OCC1=O

InChI

InChI=1S/C18H16N2O5/c1-20-13-8-11(2-4-14(13)25-10-17(20)21)18(22)19-12-3-5-15-16(9-12)24-7-6-23-15/h2-5,8-9H,6-7,10H2,1H3,(H,19,22)

InChI Key

GQKODQVSMBXSIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27102955

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.802

Distribution Coefficient, logD

0.802

Water Solubility, LogSw

-2.14

Polar Surface Area

63.020

Acid Dissociation Constant (pKa)

10.88

Base Dissociation Constant (pKb)

-1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

F119-0542 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with F119-0542 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F119-0542?
Check Price and Availability of F119-0542, 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 F119-0542 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F119-0542
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F119-0542
  • 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 F119-0542 available by request