P222-0446 Screening compound: 5-ethyl-2-[1-(4-fluorobenzoyl)-4-piperidyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one

P222-0446 Screening compound: 5-ethyl-2-[1-(4-fluorobenzoyl)-4-piperidyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one
P222-0446 Screening compound: 5-ethyl-2-[1-(4-fluorobenzoyl)-4-piperidyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P222-0446
5-ethyl-2-[1-(4-fluorobenzoyl)-4-piperidyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-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

P222-0446

Molecular Formula

C21H25FN4O2 (C21 H25 FN4 O2)

Compound Name

5-ethyl-2-[1-(4-fluorobenzoyl)-4-piperidyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one

IUPAC name

n/a

SMILES

CCN(CCCn1nc(C(CC2)CCN2C(c(cc2)ccc2F)=O)cc11)C1=O

InChI

InChI=1S/C21H25FN4O2/c1-2-24-10-3-11-26-19(21(24)28)14-18(23-26)15-8-12-25(13-9-15)20(27)16-4-6-17(22)7-5-16/h4-7,14-15H,2-3,8-13H2,1H3

InChI Key

FJMKDJPDSXDLSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27569816

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.024

Distribution Coefficient, logD

2.024

Water Solubility, LogSw

-2.26

Polar Surface Area

46.755

Acid Dissociation Constant (pKa)

26.24

Base Dissociation Constant (pKb)

1.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

P222-0446 in Drug Discovery

Included in Screening Libraries

Hsp90-Targeted Library (11355 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with P222-0446 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P222-0446?
Check Price and Availability of P222-0446, 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 P222-0446 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P222-0446
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P222-0446
  • 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 P222-0446 available by request