E521-1300 Screening compound: 4-{3-oxo-2-phenyl-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-4-yl}-N-[2-(4-sulfamoylphenyl)ethyl]butanamide

E521-1300 Screening compound: 4-{3-oxo-2-phenyl-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-4-yl}-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
E521-1300 Screening compound: 4-{3-oxo-2-phenyl-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-4-yl}-N-[2-(4-sulfamoylphenyl)ethyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E521-1300
4-{3-oxo-2-phenyl-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-4-yl}-N-[2-(4-sulfamoylphenyl)ethyl]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

E521-1300

Molecular Formula

C25H26N4O5S (C25 H26 N4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

NS(c1ccc(CCNC(CCCN2c3ncccc3OC(c3ccccc3)C2=O)=O)cc1)(=O)=O

InChI

InChI=1S/C25H26N4O5S/c26-35(32,33)20-12-10-18(11-13-20)14-16-27-22(30)9-5-17-29-24-21(8-4-15-28-24)34-23(25(29)31)19-6-2-1-3-7-19/h1-4,6-8,10-13,15,23H,5,9,14,16-17H2,(H,27,30)(H2,26,32,33)/t23-/m1/s1

InChI Key

TUFHALJMNVMCLL-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD14894422

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.57

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.887

Distribution Coefficient, logD

0.886

Water Solubility, LogSw

-2.28

Polar Surface Area

107.978

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

0.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

E521-1300 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Proteases
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with E521-1300 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E521-1300?
Check Price and Availability of E521-1300, 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 E521-1300 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E521-1300
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E521-1300
  • 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 E521-1300 available by request