6253-0495 Screening compound: 5-methoxy-2-[(1E)-2-(4-methoxyphenyl)ethenyl]-1,3,3-trimethyl-3H-indol-1-ium

6253-0495 Screening compound: 5-methoxy-2-[(1E)-2-(4-methoxyphenyl)ethenyl]-1,3,3-trimethyl-3H-indol-1-ium
6253-0495 Screening compound: 5-methoxy-2-[(1E)-2-(4-methoxyphenyl)ethenyl]-1,3,3-trimethyl-3H-indol-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 6253-0495
5-methoxy-2-[(1E)-2-(4-methoxyphenyl)ethenyl]-1,3,3-trimethyl-3H-indol-1-ium

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

6253-0495

Molecular Formula

C21H24NO2 (C21 H24 NO2)

Compound Name

5-methoxy-2-[(1E)-2-(4-methoxyphenyl)ethenyl]-1,3,3-trimethyl-3H-indol-1-ium

IUPAC name

5-methoxy-2-[(1E)-2-(4-methoxyphenyl)ethenyl]-133-trimethyl-3H-indol-1-ium

SMILES

CC1(C)c(cc(cc2)OC)c2[N+](C)=C1/C=C/c(cc1)ccc1OC

InChI

InChI=1S/C21H24NO2/c1-21(2)18-14-17(24-5)11-12-19(18)22(3)20(21)13-8-15-6-9-16(23-4)10-7-15/h6-14H,1-5H3/q+1

InChI Key

LAFAMLOHDKFHDU-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

I-

Molecular Weight

322.43

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.293

Distribution Coefficient, logD

5.293

Water Solubility, LogSw

-5.52

Polar Surface Area

16.969

Acid Dissociation Constant (pKa)

29.66

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

6253-0495 in Drug Discovery

Included in Screening Libraries

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

Human Receptors Annotated Library (5376 compounds)

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 6253-0495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6253-0495?
Check Price and Availability of 6253-0495, 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 6253-0495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6253-0495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6253-0495
  • 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 6253-0495 available by request