D519-0249 Screening compound: N-(4-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)butanamide

D519-0249 Screening compound: N-(4-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)butanamide
D519-0249 Screening compound: N-(4-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D519-0249
N-(4-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)butanamide

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

D519-0249

Molecular Formula

C16H22N2O3 (C16 H22 N2 O3)

Compound Name

N-(4-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)butanamide

IUPAC name

N-(4-butyl-3-oxo-34-dihydro-2H-14-benzoxazin-6-yl)butanamide

SMILES

CCCCN1c(cc(cc2)NC(CCC)=O)c2OCC1=O

InChI

InChI=1S/C16H22N2O3/c1-3-5-9-18-13-10-12(17-15(19)6-4-2)7-8-14(13)21-11-16(18)20/h7-8,10H,3-6,9,11H2,1-2H3,(H,17,19)

InChI Key

FYFNQLBMYQVOFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10060802

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.630

Distribution Coefficient, logD

2.630

Water Solubility, LogSw

-3.20

Polar Surface Area

47.468

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

D519-0249 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS MPO Library (28609 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with D519-0249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D519-0249?
Check Price and Availability of D519-0249, 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 D519-0249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D519-0249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D519-0249
  • 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 D519-0249 available by request