E521-1282 Screening compound: N-(1-benzylpiperidin-4-yl)-4-{3-oxo-2-phenyl-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-4-yl}butanamide

E521-1282 Screening compound: N-(1-benzylpiperidin-4-yl)-4-{3-oxo-2-phenyl-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-4-yl}butanamide
E521-1282 Screening compound: N-(1-benzylpiperidin-4-yl)-4-{3-oxo-2-phenyl-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-4-yl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E521-1282
N-(1-benzylpiperidin-4-yl)-4-{3-oxo-2-phenyl-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-4-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

E521-1282

Molecular Formula

C29H32N4O3 (C29 H32 N4 O3)

Compound Name

N-(1-benzylpiperidin-4-yl)-4-{3-oxo-2-phenyl-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-4-yl}butanamide

IUPAC name

N-(1-benzylpiperidin-4-yl)-4-{3-oxo-2-phenyl-2H3H4H-pyrido[32-b][14]oxazin-4-yl}butanamide

SMILES

O=C(CCCN1c2ncccc2OC(c2ccccc2)C1=O)NC1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C29H32N4O3/c34-26(31-24-15-19-32(20-16-24)21-22-9-3-1-4-10-22)14-8-18-33-28-25(13-7-17-30-28)36-27(29(33)35)23-11-5-2-6-12-23/h1-7,9-13,17,24,27H,8,14-16,18-21H2,(H,31,34)/t27-/m0/s1

InChI Key

ZVBBFILPFBGVCC-MHZLTWQESA-N

MDL Number (MFCD)

MFCD14894415

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.000

Distribution Coefficient, logD

1.442

Water Solubility, LogSw

-3.28

Polar Surface Area

60.799

Acid Dissociation Constant (pKa)

16.14

Base Dissociation Constant (pKb)

8.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.50

E521-1282 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E521-1282 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E521-1282?
Check Price and Availability of E521-1282, 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 E521-1282 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E521-1282
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E521-1282
  • 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 E521-1282 available by request