7771-0670 Screening compound: 2-[(1E)-2-(2H-1,3-benzodioxol-5-yl)ethenyl]-6-(methoxycarbonyl)-1,3,3-trimethyl-3H-indol-1-ium

7771-0670 Screening compound: 2-[(1E)-2-(2H-1,3-benzodioxol-5-yl)ethenyl]-6-(methoxycarbonyl)-1,3,3-trimethyl-3H-indol-1-ium
7771-0670 Screening compound: 2-[(1E)-2-(2H-1,3-benzodioxol-5-yl)ethenyl]-6-(methoxycarbonyl)-1,3,3-trimethyl-3H-indol-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 7771-0670
2-[(1E)-2-(2H-1,3-benzodioxol-5-yl)ethenyl]-6-(methoxycarbonyl)-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

7771-0670

Molecular Formula

C22H22NO4 (C22 H22 NO4)

Compound Name

2-[(1E)-2-(2H-1,3-benzodioxol-5-yl)ethenyl]-6-(methoxycarbonyl)-1,3,3-trimethyl-3H-indol-1-ium

IUPAC name

2-[(1E)-2-(2H-13-benzodioxol-5-yl)ethenyl]-6-(methoxycarbonyl)-133-trimethyl-3H-indol-1-ium

SMILES

CC1(C)c(ccc(C(OC)=O)c2)c2[N+](C)=C1/C=C/c(cc1)cc2c1OCO2

InChI

InChI=1S/C22H22NO4/c1-22(2)16-8-7-15(21(24)25-4)12-17(16)23(3)20(22)10-6-14-5-9-18-19(11-14)27-13-26-18/h5-12H,13H2,1-4H3/q+1

InChI Key

QUDAQPAVBRUHAV-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

I-

Molecular Weight

364.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.328

Distribution Coefficient, logD

5.328

Water Solubility, LogSw

-5.43

Polar Surface Area

40.171

Acid Dissociation Constant (pKa)

29.66

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with 7771-0670 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7771-0670?
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What is the minimum amount of 7771-0670 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7771-0670
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7771-0670
  • 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 7771-0670 available by request