2859-0046 Screening compound: 2-(4-bromophenyl)-1-(4-butylphenyl)-3-phenyl-2H,4H,9H-benzo[f]isoindole-4,9-dione

2859-0046 Screening compound: 2-(4-bromophenyl)-1-(4-butylphenyl)-3-phenyl-2H,4H,9H-benzo[f]isoindole-4,9-dione
2859-0046 Screening compound: 2-(4-bromophenyl)-1-(4-butylphenyl)-3-phenyl-2H,4H,9H-benzo[f]isoindole-4,9-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2859-0046
2-(4-bromophenyl)-1-(4-butylphenyl)-3-phenyl-2H,4H,9H-benzo[f]isoindole-4,9-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

2859-0046

Molecular Formula

C34H26BrNO2 (C34 H26 BrNO2)

Compound Name

2-(4-bromophenyl)-1-(4-butylphenyl)-3-phenyl-2H,4H,9H-benzo[f]isoindole-4,9-dione

IUPAC name

2-(4-bromophenyl)-1-(4-butylphenyl)-3-phenyl-2H4H9H-benzo[f]isoindole-49-dione

SMILES

CCCCc(cc1)ccc1-c(n(c(-c1ccccc1)c1C(c2c3cccc2)=O)-c(cc2)ccc2Br)c1C3=O

InChI

InChI=1S/C34H26BrNO2/c1-2-3-9-22-14-16-24(17-15-22)32-30-29(33(37)27-12-7-8-13-28(27)34(30)38)31(23-10-5-4-6-11-23)36(32)26-20-18-25(35)19-21-26/h4-8,10-21H,2-3,9H2,1H3

InChI Key

HYMBELPZUFQTET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01795935

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

560.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

9.956

Distribution Coefficient, logD

9.956

Water Solubility, LogSw

-5.94

Polar Surface Area

26.137

Acid Dissociation Constant (pKa)

26.34

Base Dissociation Constant (pKb)

-0.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

2859-0046 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 2859-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2859-0046?
Check Price and Availability of 2859-0046, 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 2859-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2859-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2859-0046
  • 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 2859-0046 available by request