P222-0900 Screening compound: 2-{1-[3-(trifluoromethyl)benzenesulfonyl]piperidin-4-yl}-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-4-one

P222-0900 Screening compound: 2-{1-[3-(trifluoromethyl)benzenesulfonyl]piperidin-4-yl}-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-4-one
P222-0900 Screening compound: 2-{1-[3-(trifluoromethyl)benzenesulfonyl]piperidin-4-yl}-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P222-0900
2-{1-[3-(trifluoromethyl)benzenesulfonyl]piperidin-4-yl}-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

P222-0900

Molecular Formula

C19H21F3N4O3S (C19 H21 F3 N4 O3 S)

Compound Name

2-{1-[3-(trifluoromethyl)benzenesulfonyl]piperidin-4-yl}-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-4-one

IUPAC name

2-{1-[3-(trifluoromethyl)benzenesulfonyl]piperidin-4-yl}-4H5H6H7H8H-pyrazolo[15-a][14]diazepin-4-one

SMILES

O=C1NCCCn2nc(C(CC3)CCN3S(c3cc(C(F)(F)F)ccc3)(=O)=O)cc12

InChI

InChI=1S/C19H21F3N4O3S/c20-19(21,22)14-3-1-4-15(11-14)30(28,29)25-9-5-13(6-10-25)16-12-17-18(27)23-7-2-8-26(17)24-16/h1,3-4,11-13H,2,5-10H2,(H,23,27)

InChI Key

PNNSHODQPKWJOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27569874

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.371

Distribution Coefficient, logD

2.371

Water Solubility, LogSw

-2.91

Polar Surface Area

70.475

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

0.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

P222-0900 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)

SmartTM Library (51161 compounds)

New Agro Library (44492 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
Agro:
  • Agro
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with P222-0900 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P222-0900?
Check Price and Availability of P222-0900, 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 P222-0900 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P222-0900
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P222-0900
  • 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 P222-0900 available by request