0653-0019 Screening compound: 6-(1,5-diphenyl-4,5-dihydro-1H-pyrazol-3-yl)-1H,3H-benzo[de]isochromene-1,3-dione

0653-0019 Screening compound: 6-(1,5-diphenyl-4,5-dihydro-1H-pyrazol-3-yl)-1H,3H-benzo[de]isochromene-1,3-dione
0653-0019 Screening compound: 6-(1,5-diphenyl-4,5-dihydro-1H-pyrazol-3-yl)-1H,3H-benzo[de]isochromene-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0653-0019
6-(1,5-diphenyl-4,5-dihydro-1H-pyrazol-3-yl)-1H,3H-benzo[de]isochromene-1,3-dione

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

0653-0019

Molecular Formula

C27H18N2O3 (C27 H18 N2 O3)

Compound Name

6-(1,5-diphenyl-4,5-dihydro-1H-pyrazol-3-yl)-1H,3H-benzo[de]isochromene-1,3-dione

IUPAC name

8-(15-diphenyl-45-dihydro-1H-pyrazol-3-yl)-3-oxatricyclo[7.3.1.0^{513}]trideca-1(12)579(13)10-pentaene-24-dione

SMILES

O=C(c1c2c3ccc(C(CC4c5ccccc5)=NN4c4ccccc4)c2ccc1)OC3=O

InChI

InChI=1S/C27H18N2O3/c30-26-21-13-7-12-20-19(14-15-22(25(20)21)27(31)32-26)23-16-24(17-8-3-1-4-9-17)29(28-23)18-10-5-2-6-11-18/h1-15,24H,16H2/t24-/m1/s1

InChI Key

YVKXRMRVQCFACZ-XMMPIXPASA-N

MDL Number (MFCD)

MFCD00488425

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.029

Distribution Coefficient, logD

6.029

Water Solubility, LogSw

-6.51

Polar Surface Area

48.405

Acid Dissociation Constant (pKa)

17.48

Base Dissociation Constant (pKb)

3.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

7.40

0653-0019 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 0653-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0653-0019?
Check Price and Availability of 0653-0019, 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 0653-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0653-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0653-0019
  • 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 0653-0019 available by request