P222-0969 Screening compound: 2-[1-(3,4-dimethylbenzenesulfonyl)piperidin-4-yl]-5-methyl-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-4-one

P222-0969 Screening compound: 2-[1-(3,4-dimethylbenzenesulfonyl)piperidin-4-yl]-5-methyl-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-4-one
P222-0969 Screening compound: 2-[1-(3,4-dimethylbenzenesulfonyl)piperidin-4-yl]-5-methyl-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P222-0969
2-[1-(3,4-dimethylbenzenesulfonyl)piperidin-4-yl]-5-methyl-4H,5H,6H,7H,8H-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

P222-0969

Molecular Formula

C21H28N4O3S (C21 H28 N4 O3 S)

Compound Name

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

IUPAC name

2-[1-(34-dimethylbenzenesulfonyl)piperidin-4-yl]-5-methyl-4H5H6H7H8H-pyrazolo[15-a][14]diazepin-4-one

SMILES

Cc(cc1)c(C)cc1S(N(CC1)CCC1c1nn(CCCN(C)C2=O)c2c1)(=O)=O

InChI

InChI=1S/C21H28N4O3S/c1-15-5-6-18(13-16(15)2)29(27,28)24-11-7-17(8-12-24)19-14-20-21(26)23(3)9-4-10-25(20)22-19/h5-6,13-14,17H,4,7-12H2,1-3H3

InChI Key

BVUAHANTUIKZFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27569883

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.482

Distribution Coefficient, logD

2.482

Water Solubility, LogSw

-2.64

Polar Surface Area

61.808

Acid Dissociation Constant (pKa)

26.40

Base Dissociation Constant (pKb)

1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

P222-0969 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 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)

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

References: we are preparing a list of scientific research reports with P222-0969 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P222-0969?
Check Price and Availability of P222-0969, 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 P222-0969 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P222-0969
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P222-0969
  • 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 P222-0969 available by request