D519-0463 Screening compound: N-(4-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide

D519-0463 Screening compound: N-(4-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide
D519-0463 Screening compound: N-(4-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D519-0463
N-(4-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-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

D519-0463

Molecular Formula

C26H27N3O4 (C26 H27 N3 O4)

Compound Name

N-(4-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide

IUPAC name

N-(4-butyl-3-oxo-34-dihydro-2H-14-benzoxazin-6-yl)-5-(5678-tetrahydronaphthalen-2-yl)-12-oxazole-3-carboxamide

SMILES

CCCCN1c(cc(cc2)NC(c3noc(-c4cc(CCCC5)c5cc4)c3)=O)c2OCC1=O

InChI

InChI=1S/C26H27N3O4/c1-2-3-12-29-22-14-20(10-11-23(22)32-16-25(29)30)27-26(31)21-15-24(33-28-21)19-9-8-17-6-4-5-7-18(17)13-19/h8-11,13-15H,2-7,12,16H2,1H3,(H,27,31)

InChI Key

BJFLQXREDPCAGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18078185

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.364

Distribution Coefficient, logD

5.364

Water Solubility, LogSw

-5.25

Polar Surface Area

68.865

Acid Dissociation Constant (pKa)

10.73

Base Dissociation Constant (pKb)

-1.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

D519-0463 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D519-0463 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D519-0463?
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What is the minimum amount of D519-0463 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D519-0463
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D519-0463
  • 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 D519-0463 available by request