E521-1172 Screening compound: 4-[4-oxo-4-(piperidin-1-yl)butyl]-2-phenyl-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-3-one

E521-1172 Screening compound: 4-[4-oxo-4-(piperidin-1-yl)butyl]-2-phenyl-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-3-one
E521-1172 Screening compound: 4-[4-oxo-4-(piperidin-1-yl)butyl]-2-phenyl-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E521-1172
4-[4-oxo-4-(piperidin-1-yl)butyl]-2-phenyl-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-3-one

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

E521-1172

Molecular Formula

C22H25N3O3 (C22 H25 N3 O3)

Compound Name

4-[4-oxo-4-(piperidin-1-yl)butyl]-2-phenyl-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-3-one

IUPAC name

4-[4-oxo-4-(piperidin-1-yl)butyl]-2-phenyl-2H3H4H-pyrido[32-b][14]oxazin-3-one

SMILES

O=C(CCCN1c2ncccc2OC(c2ccccc2)C1=O)N1CCCCC1

InChI

InChI=1S/C22H25N3O3/c26-19(24-14-5-2-6-15-24)12-8-16-25-21-18(11-7-13-23-21)28-20(22(25)27)17-9-3-1-4-10-17/h1,3-4,7,9-11,13,20H,2,5-6,8,12,14-16H2/t20-/m0/s1

InChI Key

KZYDSDNEJDLFMI-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14894355

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.457

Distribution Coefficient, logD

2.457

Water Solubility, LogSw

-2.57

Polar Surface Area

49.454

Acid Dissociation Constant (pKa)

17.59

Base Dissociation Constant (pKb)

0.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

E521-1172 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E521-1172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E521-1172?
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What is the minimum amount of E521-1172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E521-1172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E521-1172
  • 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 E521-1172 available by request