D519-0336 Screening compound: N-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-2-phenylacetamide

D519-0336 Screening compound: N-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-2-phenylacetamide
D519-0336 Screening compound: N-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-2-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D519-0336
N-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-2-phenylacetamide

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

D519-0336

Molecular Formula

C19H18N2O3 (C19 H18 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

C=CCN1c(cc(cc2)NC(Cc3ccccc3)=O)c2OCC1=O

InChI

InChI=1S/C19H18N2O3/c1-2-10-21-16-12-15(8-9-17(16)24-13-19(21)23)20-18(22)11-14-6-4-3-5-7-14/h2-9,12H,1,10-11,13H2,(H,20,22)

InChI Key

UPZVKMGJINSJGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10064976

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.472

Distribution Coefficient, logD

2.472

Water Solubility, LogSw

-3.05

Polar Surface Area

47.196

Acid Dissociation Constant (pKa)

10.54

Base Dissociation Constant (pKb)

1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

D519-0336 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D519-0336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D519-0336?
Check Price and Availability of D519-0336, 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 D519-0336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D519-0336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D519-0336
  • 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 D519-0336 available by request