2360-0471 Screening compound: 4-[4-chloro-3-(trifluoromethyl)phenyl]-1,7,8,9-tetraphenyl-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5,10-trione

2360-0471 Screening compound: 4-[4-chloro-3-(trifluoromethyl)phenyl]-1,7,8,9-tetraphenyl-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5,10-trione
2360-0471 Screening compound: 4-[4-chloro-3-(trifluoromethyl)phenyl]-1,7,8,9-tetraphenyl-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5,10-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2360-0471
4-[4-chloro-3-(trifluoromethyl)phenyl]-1,7,8,9-tetraphenyl-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5,10-trione

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

2360-0471

Molecular Formula

C40H25ClF3NO3 (C40 H25 ClF3 NO3)

Compound Name

4-[4-chloro-3-(trifluoromethyl)phenyl]-1,7,8,9-tetraphenyl-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5,10-trione

IUPAC name

4-[4-chloro-3-(trifluoromethyl)phenyl]-1789-tetraphenyl-4-azatricyclo[5.2.1.0^{26}]dec-8-ene-3510-trione

SMILES

O=C(C(C(C(C1=O)(C(c2ccccc2)=C2c3ccccc3)c3ccccc3)C3=O)C12c1ccccc1)N3c(cc1)cc(C(F)(F)F)c1Cl

InChI

InChI=1S/C40H25ClF3NO3/c41-30-22-21-28(23-29(30)40(42,43)44)45-35(46)33-34(36(45)47)39(27-19-11-4-12-20-27)32(25-15-7-2-8-16-25)31(24-13-5-1-6-14-24)38(33,37(39)48)26-17-9-3-10-18-26/h1-23,33-34H

InChI Key

ADVPIZJIRKKLCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01067489

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

660.09

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

8.191

Distribution Coefficient, logD

8.188

Water Solubility, LogSw

-6.83

Polar Surface Area

41.785

Acid Dissociation Constant (pKa)

9.59

Base Dissociation Constant (pKb)

-10.74

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

12.50

2360-0471 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2360-0471 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2360-0471?
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What is the minimum amount of 2360-0471 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2360-0471
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2360-0471
  • 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 2360-0471 available by request