P218-3204 Screening compound: N,3-dimethyl-2-oxo-N-(2-oxo-2-{2-[4-(trifluoromethyl)phenyl]-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-5-yl}ethyl)-2,3-dihydro-1,3-benzoxazole-6-sulfonamide

P218-3204 Screening compound: N,3-dimethyl-2-oxo-N-(2-oxo-2-{2-[4-(trifluoromethyl)phenyl]-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-5-yl}ethyl)-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
P218-3204 Screening compound: N,3-dimethyl-2-oxo-N-(2-oxo-2-{2-[4-(trifluoromethyl)phenyl]-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-5-yl}ethyl)-2,3-dihydro-1,3-benzoxazole-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P218-3204
N,3-dimethyl-2-oxo-N-(2-oxo-2-{2-[4-(trifluoromethyl)phenyl]-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-5-yl}ethyl)-2,3-dihydro-1,3-benzoxazole-6-sulfonamide

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

P218-3204

Molecular Formula

C25H24F3N5O5S (C25 H24 F3 N5 O5 S)

Compound Name

N,3-dimethyl-2-oxo-N-(2-oxo-2-{2-[4-(trifluoromethyl)phenyl]-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-5-yl}ethyl)-2,3-dihydro-1,3-benzoxazole-6-sulfonamide

IUPAC name

N3-dimethyl-2-oxo-N-(2-oxo-2-{2-[4-(trifluoromethyl)phenyl]-4H5H6H7H8H-pyrazolo[15-a][14]diazepin-5-yl}ethyl)-23-dihydro-13-benzoxazole-6-sulfonamide

SMILES

CN(CC(N1Cc2cc(-c3ccc(C(F)(F)F)cc3)nn2CCC1)=O)S(c(cc1)cc(O2)c1N(C)C2=O)(=O)=O

InChI

InChI=1S/C25H24F3N5O5S/c1-30(39(36,37)19-8-9-21-22(13-19)38-24(35)31(21)2)15-23(34)32-10-3-11-33-18(14-32)12-20(29-33)16-4-6-17(7-5-16)25(26,27)28/h4-9,12-13H,3,10-11,14-15H2,1-2H3

InChI Key

XFVLHKZBBVMPBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31976553

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

563.56

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.024

Distribution Coefficient, logD

3.024

Water Solubility, LogSw

-3.64

Polar Surface Area

85.591

Acid Dissociation Constant (pKa)

22.42

Base Dissociation Constant (pKb)

0.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

P218-3204 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-infective Library (19449 compounds)

Antiviral HBV Library (10007 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P218-3204 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P218-3204?
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What is the minimum amount of P218-3204 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P218-3204
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P218-3204
  • 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 P218-3204 available by request