E521-1137 Screening compound: 1-(4-{3-oxo-2-phenyl-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-4-yl}butanoyl)piperidine-4-carboxamide

E521-1137 Screening compound: 1-(4-{3-oxo-2-phenyl-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-4-yl}butanoyl)piperidine-4-carboxamide
E521-1137 Screening compound: 1-(4-{3-oxo-2-phenyl-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-4-yl}butanoyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E521-1137
1-(4-{3-oxo-2-phenyl-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-4-yl}butanoyl)piperidine-4-carboxamide

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

E521-1137

Molecular Formula

C23H26N4O4 (C23 H26 N4 O4)

Compound Name

1-(4-{3-oxo-2-phenyl-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-4-yl}butanoyl)piperidine-4-carboxamide

IUPAC name

1-(4-{3-oxo-2-phenyl-2H3H4H-pyrido[32-b][14]oxazin-4-yl}butanoyl)piperidine-4-carboxamide

SMILES

NC(C(CC1)CCN1C(CCCN1c2ncccc2OC(c2ccccc2)C1=O)=O)=O

InChI

InChI=1S/C23H26N4O4/c24-21(29)17-10-14-26(15-11-17)19(28)9-5-13-27-22-18(8-4-12-25-22)31-20(23(27)30)16-6-2-1-3-7-16/h1-4,6-8,12,17,20H,5,9-11,13-15H2,(H2,24,29)/t20-/m0/s1

InChI Key

MTTVSQHVPGJNNV-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14894353

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.837

Distribution Coefficient, logD

0.837

Water Solubility, LogSw

-1.11

Polar Surface Area

83.513

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

7.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

E521-1137 in Drug Discovery

Included in Screening Libraries

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

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • Proteases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E521-1137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E521-1137?
Check Price and Availability of E521-1137, 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 E521-1137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E521-1137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E521-1137
  • 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 E521-1137 available by request