F313-3465 Screening compound: 3-[2-(4-bromophenyl)-1H-indol-3-yl]-2-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-isoindol-1-one

F313-3465 Screening compound: 3-[2-(4-bromophenyl)-1H-indol-3-yl]-2-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-isoindol-1-one
F313-3465 Screening compound: 3-[2-(4-bromophenyl)-1H-indol-3-yl]-2-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-isoindol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F313-3465
3-[2-(4-bromophenyl)-1H-indol-3-yl]-2-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-isoindol-1-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

F313-3465

Molecular Formula

C30H23BrN2O2 (C30 H23 BrN2 O2)

Compound Name

3-[2-(4-bromophenyl)-1H-indol-3-yl]-2-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-isoindol-1-one

IUPAC name

3-[2-(4-bromophenyl)-1H-indol-3-yl]-2-[(4-methoxyphenyl)methyl]-23-dihydro-1H-isoindol-1-one

SMILES

COc1ccc(CN(C(c2c3cccc2)c2c(-c(cc4)ccc4Br)[nH]c4c2cccc4)C3=O)cc1

InChI

InChI=1S/C30H23BrN2O2/c1-35-22-16-10-19(11-17-22)18-33-29(23-6-2-3-7-24(23)30(33)34)27-25-8-4-5-9-26(25)32-28(27)20-12-14-21(31)15-13-20/h2-17,29,32H,18H2,1H3/t29-/m0/s1

InChI Key

ITWAOGIPWSRMLJ-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD08680291

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.967

Distribution Coefficient, logD

6.967

Water Solubility, LogSw

-5.97

Polar Surface Area

33.409

Acid Dissociation Constant (pKa)

17.39

Base Dissociation Constant (pKb)

-2.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.00

F313-3465 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with F313-3465 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F313-3465?
Check Price and Availability of F313-3465, 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 F313-3465 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F313-3465
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F313-3465
  • 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 F313-3465 available by request