7165-0813 Screening compound: 5-(methoxycarbonyl)-1,3,3-trimethyl-2-[(1E)-2-(2,3,4-trimethoxyphenyl)ethenyl]-3H-indol-1-ium

7165-0813 Screening compound: 5-(methoxycarbonyl)-1,3,3-trimethyl-2-[(1E)-2-(2,3,4-trimethoxyphenyl)ethenyl]-3H-indol-1-ium
7165-0813 Screening compound: 5-(methoxycarbonyl)-1,3,3-trimethyl-2-[(1E)-2-(2,3,4-trimethoxyphenyl)ethenyl]-3H-indol-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 7165-0813
5-(methoxycarbonyl)-1,3,3-trimethyl-2-[(1E)-2-(2,3,4-trimethoxyphenyl)ethenyl]-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

7165-0813

Molecular Formula

C24H28NO5 (C24 H28 NO5)

Compound Name

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

IUPAC name

5-(methoxycarbonyl)-133-trimethyl-2-[(1E)-2-(234-trimethoxyphenyl)ethenyl]-3H-indol-1-ium

SMILES

CC1(C)c(cc(cc2)C(OC)=O)c2[N+](C)=C1/C=C/c(ccc(OC)c1OC)c1OC

InChI

InChI=1S/C24H28NO5/c1-24(2)17-14-16(23(26)30-7)8-11-18(17)25(3)20(24)13-10-15-9-12-19(27-4)22(29-6)21(15)28-5/h8-14H,1-7H3/q+1

InChI Key

PABJIJGHBMKQEE-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

I-

Molecular Weight

410.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.177

Distribution Coefficient, logD

5.177

Water Solubility, LogSw

-5.08

Polar Surface Area

46.120

Acid Dissociation Constant (pKa)

29.66

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

7165-0813 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

Human Kinases Annotated Library (2415 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 7165-0813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7165-0813?
Check Price and Availability of 7165-0813, 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 7165-0813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7165-0813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7165-0813
  • 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 7165-0813 available by request