P621-0061 Screening compound: N-[(4-methoxyphenyl)methyl]-2-methyl-3-oxo-2H,3H,4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide

P621-0061 Screening compound: N-[(4-methoxyphenyl)methyl]-2-methyl-3-oxo-2H,3H,4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide
P621-0061 Screening compound: N-[(4-methoxyphenyl)methyl]-2-methyl-3-oxo-2H,3H,4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P621-0061
N-[(4-methoxyphenyl)methyl]-2-methyl-3-oxo-2H,3H,4H-pyrido[3,2-b][1,4]oxazine-2-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

P621-0061

Molecular Formula

C17H17N3O4 (C17 H17 N3 O4)

Compound Name

N-[(4-methoxyphenyl)methyl]-2-methyl-3-oxo-2H,3H,4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide

IUPAC name

N-[(4-methoxyphenyl)methyl]-2-methyl-3-oxo-2H3H4H-pyrido[32-b][14]oxazine-2-carboxamide

SMILES

CC1(C(NCc(cc2)ccc2OC)=O)Oc2cccnc2NC1=O

InChI

InChI=1S/C17H17N3O4/c1-17(16(22)20-14-13(24-17)4-3-9-18-14)15(21)19-10-11-5-7-12(23-2)8-6-11/h3-9H,10H2,1-2H3,(H,19,21)(H,18,20,22)/t17-/m0/s1

InChI Key

KUDAZBHUJMPYCP-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD28120893

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.707

Distribution Coefficient, logD

1.705

Water Solubility, LogSw

-1.88

Polar Surface Area

73.677

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

2.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.50

P621-0061 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Proteases
  • Kinases
Mechanism of action:
  • PPI modulators
  • Epigenetic
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P621-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P621-0061?
Check Price and Availability of P621-0061, 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 P621-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P621-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P621-0061
  • 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 P621-0061 available by request