P218-0643 Screening compound: 2-(4-methoxyphenyl)-5-(oxolane-2-carbonyl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine

P218-0643 Screening compound: 2-(4-methoxyphenyl)-5-(oxolane-2-carbonyl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine
P218-0643 Screening compound: 2-(4-methoxyphenyl)-5-(oxolane-2-carbonyl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound P218-0643
2-(4-methoxyphenyl)-5-(oxolane-2-carbonyl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine

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

P218-0643

Molecular Formula

C19H23N3O3 (C19 H23 N3 O3)

Compound Name

2-(4-methoxyphenyl)-5-(oxolane-2-carbonyl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine

IUPAC name

2-(4-methoxyphenyl)-5-(oxolane-2-carbonyl)-4H5H6H7H8H-pyrazolo[15-a][14]diazepine

SMILES

COc(cc1)ccc1-c1nn(CCCN(C2)C(C3OCCC3)=O)c2c1

InChI

InChI=1S/C19H23N3O3/c1-24-16-7-5-14(6-8-16)17-12-15-13-21(9-3-10-22(15)20-17)19(23)18-4-2-11-25-18/h5-8,12,18H,2-4,9-11,13H2,1H3/t18-/m0/s1

InChI Key

IBHMFOCKENKIHL-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27569540

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.005

Distribution Coefficient, logD

2.005

Water Solubility, LogSw

-2.48

Polar Surface Area

46.373

Acid Dissociation Constant (pKa)

20.36

Base Dissociation Constant (pKb)

-0.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.40

P218-0643 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 compounds)

Hsp90-Targeted Library (11355 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Soluble Diversity Library (15920 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with P218-0643 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P218-0643?
Check Price and Availability of P218-0643, 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 P218-0643 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P218-0643
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P218-0643
  • 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 P218-0643 available by request