E521-1331 Screening compound: N-[3-(4-methylpiperazin-1-yl)propyl]-4-{3-oxo-2-phenyl-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-4-yl}butanamide

E521-1331 Screening compound: N-[3-(4-methylpiperazin-1-yl)propyl]-4-{3-oxo-2-phenyl-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-4-yl}butanamide
E521-1331 Screening compound: N-[3-(4-methylpiperazin-1-yl)propyl]-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 E521-1331
N-[3-(4-methylpiperazin-1-yl)propyl]-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

E521-1331

Molecular Formula

C25H33N5O3 (C25 H33 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

CN1CCN(CCCNC(CCCN2c3ncccc3OC(c3ccccc3)C2=O)=O)CC1

InChI

InChI=1S/C25H33N5O3/c1-28-16-18-29(19-17-28)14-7-13-26-22(31)11-6-15-30-24-21(10-5-12-27-24)33-23(25(30)32)20-8-3-2-4-9-20/h2-5,8-10,12,23H,6-7,11,13-19H2,1H3,(H,26,31)/t23-/m0/s1

InChI Key

BPQWDBNIHNYCLB-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14894431

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.702

Distribution Coefficient, logD

-0.503

Water Solubility, LogSw

-1.57

Polar Surface Area

64.834

Acid Dissociation Constant (pKa)

15.52

Base Dissociation Constant (pKb)

8.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.00

E521-1331 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with E521-1331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E521-1331?
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What is the minimum amount of E521-1331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E521-1331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E521-1331
  • 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 E521-1331 available by request