4513-0797 Screening compound: 3-[2,2-bis(4-methoxyphenyl)ethenyl]-1H-indole

4513-0797 Screening compound: 3-[2,2-bis(4-methoxyphenyl)ethenyl]-1H-indole
4513-0797 Screening compound: 3-[2,2-bis(4-methoxyphenyl)ethenyl]-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4513-0797
3-[2,2-bis(4-methoxyphenyl)ethenyl]-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

4513-0797

Molecular Formula

C24H21NO2 (C24 H21 NO2)

Compound Name

3-[2,2-bis(4-methoxyphenyl)ethenyl]-1H-indole

IUPAC name

3-[22-bis(4-methoxyphenyl)ethenyl]-1H-indole

SMILES

COc(cc1)ccc1C(c(cc1)ccc1OC)=Cc1c[nH]c2c1cccc2

InChI

InChI=1S/C24H21NO2/c1-26-20-11-7-17(8-12-20)23(18-9-13-21(27-2)14-10-18)15-19-16-25-24-6-4-3-5-22(19)24/h3-16,25H,1-2H3

InChI Key

RDIRLFMGEPXYQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00367412

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.44

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.609

Distribution Coefficient, logD

5.609

Water Solubility, LogSw

-6.00

Polar Surface Area

24.654

Acid Dissociation Constant (pKa)

18.57

Base Dissociation Constant (pKb)

-3.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

4513-0797 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

DGK Inhibitors Library (10558 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 4513-0797 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4513-0797?
Check Price and Availability of 4513-0797, 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 4513-0797 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4513-0797
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4513-0797
  • 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 4513-0797 available by request