P221-3018 Screening compound: 1-(3-METHYL-1H-INDAZOL-1-YL)-5-[2-(5-METHYLFURAN-2-YL)-4H,5H,6H,7H,8H-PYRAZOLO[1,5-A][1,4]DIAZEPIN-5-YL]PENTANE-1,5-DIONE

P221-3018 Screening compound: 1-(3-METHYL-1H-INDAZOL-1-YL)-5-[2-(5-METHYLFURAN-2-YL)-4H,5H,6H,7H,8H-PYRAZOLO[1,5-A][1,4]DIAZEPIN-5-YL]PENTANE-1,5-DIONE
P221-3018 Screening compound: 1-(3-METHYL-1H-INDAZOL-1-YL)-5-[2-(5-METHYLFURAN-2-YL)-4H,5H,6H,7H,8H-PYRAZOLO[1,5-A][1,4]DIAZEPIN-5-YL]PENTANE-1,5-DIONE alternative view

Chemical Structure Depiction of ChemDiv screening compound P221-3018
1-(3-METHYL-1H-INDAZOL-1-YL)-5-[2-(5-METHYLFURAN-2-YL)-4H,5H,6H,7H,8H-PYRAZOLO[1,5-A][1,4]DIAZEPIN-5-YL]PENTANE-1,5-DIONE

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

P221-3018

Molecular Formula

C25H27N5O3 (C25 H27 N5 O3)

Compound Name

1-(3-METHYL-1H-INDAZOL-1-YL)-5-[2-(5-METHYLFURAN-2-YL)-4H,5H,6H,7H,8H-PYRAZOLO[1,5-A][1,4]DIAZEPIN-5-YL]PENTANE-1,5-DIONE

IUPAC name

1-(3-methyl-1H-indazol-1-yl)-5-[2-(5-methylfuran-2-yl)-4H5H6H7H8H-pyrazolo[15-a][14]diazepin-5-yl]pentane-15-dione

SMILES

Cc1ccc(-c2nn(CCCN(C3)C(CCCC(n4nc(C)c5c4cccc5)=O)=O)c3c2)o1

InChI

InChI=1S/C25H27N5O3/c1-17-11-12-23(33-17)21-15-19-16-28(13-6-14-29(19)27-21)24(31)9-5-10-25(32)30-22-8-4-3-7-20(22)18(2)26-30/h3-4,7-8,11-12,15H,5-6,9-10,13-14,16H2,1-2H3

InChI Key

RIVWLBRLYGRHRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30464807

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.503

Distribution Coefficient, logD

2.503

Water Solubility, LogSw

-2.69

Polar Surface Area

64.843

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

0.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

P221-3018 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 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)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P221-3018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P221-3018?
Check Price and Availability of P221-3018, 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 P221-3018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P221-3018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P221-3018
  • 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 P221-3018 available by request