P218-3459 Screening compound: 7-{2-[2-(4-methoxyphenyl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-5-yl]-2-oxoethyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

P218-3459 Screening compound: 7-{2-[2-(4-methoxyphenyl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-5-yl]-2-oxoethyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
P218-3459 Screening compound: 7-{2-[2-(4-methoxyphenyl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-5-yl]-2-oxoethyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound P218-3459
7-{2-[2-(4-methoxyphenyl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-5-yl]-2-oxoethyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-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

P218-3459

Molecular Formula

C23H25N7O4 (C23 H25 N7 O4)

Compound Name

7-{2-[2-(4-methoxyphenyl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-5-yl]-2-oxoethyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

7-{2-[2-(4-methoxyphenyl)-4H5H6H7H8H-pyrazolo[15-a][14]diazepin-5-yl]-2-oxoethyl}-13-dimethyl-2367-tetrahydro-1H-purine-26-dione

SMILES

CN(c1c(C(N2C)=O)n(CC(N3Cc4cc(-c(cc5)ccc5OC)nn4CCC3)=O)cn1)C2=O

InChI

InChI=1S/C23H25N7O4/c1-26-21-20(22(32)27(2)23(26)33)29(14-24-21)13-19(31)28-9-4-10-30-16(12-28)11-18(25-30)15-5-7-17(34-3)8-6-15/h5-8,11,14H,4,9-10,12-13H2,1-3H3

InChI Key

CTIULFGCPVLDNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31958336

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.160

Distribution Coefficient, logD

1.160

Water Solubility, LogSw

-2.06

Polar Surface Area

80.427

Acid Dissociation Constant (pKa)

17.39

Base Dissociation Constant (pKb)

3.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.78

P218-3459 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with P218-3459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P218-3459?
Check Price and Availability of P218-3459, 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 P218-3459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P218-3459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P218-3459
  • 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 P218-3459 available by request