P221-0323 Screening compound: 1-[2-(pyridin-3-yl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-5-yl]butan-1-one

P221-0323 Screening compound: 1-[2-(pyridin-3-yl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-5-yl]butan-1-one
P221-0323 Screening compound: 1-[2-(pyridin-3-yl)-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 P221-0323
1-[2-(pyridin-3-yl)-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

P221-0323

Molecular Formula

C16H20N4O (C16 H20 N4 O)

Compound Name

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

IUPAC name

1-[2-(pyridin-3-yl)-4H5H6H7H8H-pyrazolo[15-a][14]diazepin-5-yl]butan-1-one

SMILES

CCCC(N1Cc2cc(-c3cnccc3)nn2CCC1)=O

InChI

InChI=1S/C16H20N4O/c1-2-5-16(21)19-8-4-9-20-14(12-19)10-15(18-20)13-6-3-7-17-11-13/h3,6-7,10-11H,2,4-5,8-9,12H2,1H3

InChI Key

OCOMHZWYWOYSDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27569643

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

284.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.568

Distribution Coefficient, logD

1.467

Water Solubility, LogSw

-1.25

Polar Surface Area

39.679

Acid Dissociation Constant (pKa)

23.87

Base Dissociation Constant (pKb)

6.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

P221-0323 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

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

CNS BBB Library (22607 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P221-0323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P221-0323?
Check Price and Availability of P221-0323, 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 P221-0323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P221-0323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P221-0323
  • 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 P221-0323 available by request