P222-0883 Screening compound: 2-{1-[(5-CHLORO-2-METHOXYPHENYL)SULFONYL]-4-PIPERIDYL}-5,6,7,8-TETRAHYDRO-4H-PYRAZOLO[1,5-A][1,4]DIAZEPIN-4-ONE

P222-0883 Screening compound: 2-{1-[(5-CHLORO-2-METHOXYPHENYL)SULFONYL]-4-PIPERIDYL}-5,6,7,8-TETRAHYDRO-4H-PYRAZOLO[1,5-A][1,4]DIAZEPIN-4-ONE
P222-0883 Screening compound: 2-{1-[(5-CHLORO-2-METHOXYPHENYL)SULFONYL]-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 P222-0883
2-{1-[(5-CHLORO-2-METHOXYPHENYL)SULFONYL]-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

P222-0883

Molecular Formula

C19H23ClN4O4S (C19 H23 ClN4 O4 S)

Compound Name

2-{1-[(5-CHLORO-2-METHOXYPHENYL)SULFONYL]-4-PIPERIDYL}-5,6,7,8-TETRAHYDRO-4H-PYRAZOLO[1,5-A][1,4]DIAZEPIN-4-ONE

IUPAC name

2-[1-(5-chloro-2-methoxybenzenesulfonyl)piperidin-4-yl]-4H5H6H7H8H-pyrazolo[15-a][14]diazepin-4-one

SMILES

COc(ccc(Cl)c1)c1S(N(CC1)CCC1c1nn(CCCNC2=O)c2c1)(=O)=O

InChI

InChI=1S/C19H23ClN4O4S/c1-28-17-4-3-14(20)11-18(17)29(26,27)23-9-5-13(6-10-23)15-12-16-19(25)21-7-2-8-24(16)22-15/h3-4,11-13H,2,5-10H2,1H3,(H,21,25)

InChI Key

PJVVKRCBZOBNGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27569870

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.93

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.828

Distribution Coefficient, logD

1.828

Water Solubility, LogSw

-2.92

Polar Surface Area

78.105

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

0.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.37

P222-0883 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)

Hsp90-Targeted Library (11355 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P222-0883 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P222-0883?
Check Price and Availability of P222-0883, 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 P222-0883 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P222-0883
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P222-0883
  • 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 P222-0883 available by request