P218-3427 Screening compound: 4-({5-[2-(4-METHOXYPHENYL)-4H,5H,6H,7H,8H-PYRAZOLO[1,5-A][1,4]DIAZEPINE-5-CARBONYL]FURAN-2-YL}METHYL)-3,5-DIMETHYL-1H-PYRAZOLE

P218-3427 Screening compound: 4-({5-[2-(4-METHOXYPHENYL)-4H,5H,6H,7H,8H-PYRAZOLO[1,5-A][1,4]DIAZEPINE-5-CARBONYL]FURAN-2-YL}METHYL)-3,5-DIMETHYL-1H-PYRAZOLE
P218-3427 Screening compound: 4-({5-[2-(4-METHOXYPHENYL)-4H,5H,6H,7H,8H-PYRAZOLO[1,5-A][1,4]DIAZEPINE-5-CARBONYL]FURAN-2-YL}METHYL)-3,5-DIMETHYL-1H-PYRAZOLE alternative view

Chemical Structure Depiction of ChemDiv screening compound P218-3427
4-({5-[2-(4-METHOXYPHENYL)-4H,5H,6H,7H,8H-PYRAZOLO[1,5-A][1,4]DIAZEPINE-5-CARBONYL]FURAN-2-YL}METHYL)-3,5-DIMETHYL-1H-PYRAZOLE

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

P218-3427

Molecular Formula

C25H27N5O3 (C25 H27 N5 O3)

Compound Name

4-({5-[2-(4-METHOXYPHENYL)-4H,5H,6H,7H,8H-PYRAZOLO[1,5-A][1,4]DIAZEPINE-5-CARBONYL]FURAN-2-YL}METHYL)-3,5-DIMETHYL-1H-PYRAZOLE

IUPAC name

n/a

SMILES

Cc1c(Cc2ccc(C(N3Cc4cc(-c(cc5)ccc5OC)nn4CCC3)=O)o2)c(C)n[nH]1

InChI

InChI=1S/C25H27N5O3/c1-16-22(17(2)27-26-16)14-21-9-10-24(33-21)25(31)29-11-4-12-30-19(15-29)13-23(28-30)18-5-7-20(32-3)8-6-18/h5-10,13H,4,11-12,14-15H2,1-3H3,(H,26,27)

InChI Key

XTDFBBTXAINUEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31976719

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.790

Distribution Coefficient, logD

3.790

Water Solubility, LogSw

-4.19

Polar Surface Area

69.446

Acid Dissociation Constant (pKa)

14.67

Base Dissociation Constant (pKb)

3.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

P218-3427 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P218-3427 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P218-3427?
Check Price and Availability of P218-3427, 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 P218-3427 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P218-3427
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P218-3427
  • 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 P218-3427 available by request