5228-4202 Screening compound: 2-methyl-3-[1-(2-methyl-1H-indol-3-yl)-2-phenylpropyl]-1H-indole

5228-4202 Screening compound: 2-methyl-3-[1-(2-methyl-1H-indol-3-yl)-2-phenylpropyl]-1H-indole
5228-4202 Screening compound: 2-methyl-3-[1-(2-methyl-1H-indol-3-yl)-2-phenylpropyl]-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound 5228-4202
2-methyl-3-[1-(2-methyl-1H-indol-3-yl)-2-phenylpropyl]-1H-indole

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

5228-4202

Molecular Formula

C27H26N2 (C27 H26 N2)

Compound Name

2-methyl-3-[1-(2-methyl-1H-indol-3-yl)-2-phenylpropyl]-1H-indole

IUPAC name

2-methyl-3-[1-(2-methyl-1H-indol-3-yl)-2-phenylpropyl]-1H-indole

SMILES

CC(C(c1c(C)[nH]c2c1cccc2)c1c(C)[nH]c2c1cccc2)c1ccccc1

InChI

InChI=1S/C27H26N2/c1-17(20-11-5-4-6-12-20)25(26-18(2)28-23-15-9-7-13-21(23)26)27-19(3)29-24-16-10-8-14-22(24)27/h4-17,25,28-29H,1-3H3/t17-/m1/s1

InChI Key

QGHZDAFODSQYRL-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD05717277

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.52

Hydrogen Bond Acceptors Count

0.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.764

Distribution Coefficient, logD

6.764

Water Solubility, LogSw

-6.31

Polar Surface Area

19.547

Acid Dissociation Constant (pKa)

16.21

Base Dissociation Constant (pKb)

-3.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.50

5228-4202 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5228-4202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5228-4202?
Check Price and Availability of 5228-4202, 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 5228-4202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5228-4202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5228-4202
  • 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 5228-4202 available by request