D519-0281 Screening compound: 3,4,5-trimethoxy-N-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]benzamide

D519-0281 Screening compound: 3,4,5-trimethoxy-N-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]benzamide
D519-0281 Screening compound: 3,4,5-trimethoxy-N-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D519-0281
3,4,5-trimethoxy-N-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]benzamide

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

D519-0281

Molecular Formula

C21H22N2O6 (C21 H22 N2 O6)

Compound Name

3,4,5-trimethoxy-N-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]benzamide

IUPAC name

345-trimethoxy-N-[3-oxo-4-(prop-2-en-1-yl)-34-dihydro-2H-14-benzoxazin-6-yl]benzamide

SMILES

COc1cc(C(Nc(cc2)cc(N3CC=C)c2OCC3=O)=O)cc(OC)c1OC

InChI

InChI=1S/C21H22N2O6/c1-5-8-23-15-11-14(6-7-16(15)29-12-19(23)24)22-21(25)13-9-17(26-2)20(28-4)18(10-13)27-3/h5-7,9-11H,1,8,12H2,2-4H3,(H,22,25)

InChI Key

RCEXZNOOVPVPDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10064539

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.364

Distribution Coefficient, logD

2.364

Water Solubility, LogSw

-3.11

Polar Surface Area

70.387

Acid Dissociation Constant (pKa)

11.17

Base Dissociation Constant (pKb)

-0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with D519-0281 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D519-0281?
Check Price and Availability of D519-0281, 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 D519-0281 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D519-0281
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D519-0281
  • 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 D519-0281 available by request