P218-3501 Screening compound: 4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[2-(4-methoxyphenyl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-5-yl]butan-1-one

P218-3501 Screening compound: 4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[2-(4-methoxyphenyl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-5-yl]butan-1-one
P218-3501 Screening compound: 4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[2-(4-methoxyphenyl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-5-yl]butan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P218-3501
4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[2-(4-methoxyphenyl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-5-yl]butan-1-one

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

P218-3501

Molecular Formula

C28H31N5O5 (C28 H31 N5 O5)

Compound Name

4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[2-(4-methoxyphenyl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-5-yl]butan-1-one

IUPAC name

4-[3-(34-dimethoxyphenyl)-124-oxadiazol-5-yl]-1-[2-(4-methoxyphenyl)-4H5H6H7H8H-pyrazolo[15-a][14]diazepin-5-yl]butan-1-one

SMILES

COc(cc1)ccc1-c1nn(CCCN(C2)C(CCCc3nc(-c(cc4)cc(OC)c4OC)no3)=O)c2c1

InChI

InChI=1S/C28H31N5O5/c1-35-22-11-8-19(9-12-22)23-17-21-18-32(14-5-15-33(21)30-23)27(34)7-4-6-26-29-28(31-38-26)20-10-13-24(36-2)25(16-20)37-3/h8-13,16-17H,4-7,14-15,18H2,1-3H3

InChI Key

ORKXVKIHLJIOGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31986283

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.065

Distribution Coefficient, logD

4.065

Water Solubility, LogSw

-4.26

Polar Surface Area

84.037

Acid Dissociation Constant (pKa)

23.08

Base Dissociation Constant (pKb)

-0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.71

P218-3501 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 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

References: we are preparing a list of scientific research reports with P218-3501 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P218-3501?
Check Price and Availability of P218-3501, 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 P218-3501 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P218-3501
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P218-3501
  • 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 P218-3501 available by request