P621-0021 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-oxo-2H,3H,4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide

P621-0021 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-oxo-2H,3H,4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide
P621-0021 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-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 P621-0021
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-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

P621-0021

Molecular Formula

C17H15N3O5 (C17 H15 N3 O5)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-oxo-2H,3H,4H-pyrido[3,2-b][1,4]oxazine-2-carboxamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-methyl-3-oxo-2H3H4H-pyrido[32-b][14]oxazine-2-carboxamide

SMILES

CC1(C(Nc(cc2)cc3c2OCCO3)=O)Oc2cccnc2NC1=O

InChI

InChI=1S/C17H15N3O5/c1-17(16(22)20-14-12(25-17)3-2-6-18-14)15(21)19-10-4-5-11-13(9-10)24-8-7-23-11/h2-6,9H,7-8H2,1H3,(H,19,21)(H,18,20,22)/t17-/m0/s1

InChI Key

ZISTYYORWFPBIK-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD28120884

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.024

Distribution Coefficient, logD

1.023

Water Solubility, LogSw

-1.97

Polar Surface Area

80.634

Acid Dissociation Constant (pKa)

10.13

Base Dissociation Constant (pKb)

2.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.50

P621-0021 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Protein Arginine Methyltransferases Library (27925 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
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Proteases
  • Others
  • Kinases
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • Epigenetic
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P621-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P621-0021?
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What is the minimum amount of P621-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P621-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P621-0021
  • 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 P621-0021 available by request