P425-0172 Screening compound: N-[(3,4-dimethylphenyl)methyl]-5H,6H,8H-imidazo[2,1-c][1,4]oxazine-2-carboxamide

P425-0172 Screening compound: N-[(3,4-dimethylphenyl)methyl]-5H,6H,8H-imidazo[2,1-c][1,4]oxazine-2-carboxamide
P425-0172 Screening compound: N-[(3,4-dimethylphenyl)methyl]-5H,6H,8H-imidazo[2,1-c][1,4]oxazine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P425-0172
N-[(3,4-dimethylphenyl)methyl]-5H,6H,8H-imidazo[2,1-c][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

P425-0172

Molecular Formula

C16H19N3O2 (C16 H19 N3 O2)

Compound Name

N-[(3,4-dimethylphenyl)methyl]-5H,6H,8H-imidazo[2,1-c][1,4]oxazine-2-carboxamide

IUPAC name

N-[(34-dimethylphenyl)methyl]-5H6H8H-imidazo[21-c][14]oxazine-2-carboxamide

SMILES

Cc1c(C)cc(CNC(c2cn(CCOC3)c3n2)=O)cc1

InChI

InChI=1S/C16H19N3O2/c1-11-3-4-13(7-12(11)2)8-17-16(20)14-9-19-5-6-21-10-15(19)18-14/h3-4,7,9H,5-6,8,10H2,1-2H3,(H,17,20)

InChI Key

CPXBGXVRPCIIBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27574188

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

285.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.872

Distribution Coefficient, logD

1.872

Water Solubility, LogSw

-2.13

Polar Surface Area

45.934

Acid Dissociation Constant (pKa)

12.69

Base Dissociation Constant (pKb)

2.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

P425-0172 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds
Targets:
  • Others

References: we are preparing a list of scientific research reports with P425-0172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P425-0172?
Check Price and Availability of P425-0172, 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 P425-0172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P425-0172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P425-0172
  • 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 P425-0172 available by request