1187-1523 Screening compound: 3-[2-(4-ethoxyphenyl)-2-oxoethyl]-1,2-dimethyl-1H-1,3-benzodiazol-3-ium

1187-1523 Screening compound: 3-[2-(4-ethoxyphenyl)-2-oxoethyl]-1,2-dimethyl-1H-1,3-benzodiazol-3-ium
1187-1523 Screening compound: 3-[2-(4-ethoxyphenyl)-2-oxoethyl]-1,2-dimethyl-1H-1,3-benzodiazol-3-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 1187-1523
3-[2-(4-ethoxyphenyl)-2-oxoethyl]-1,2-dimethyl-1H-1,3-benzodiazol-3-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

1187-1523

Molecular Formula

C19H21N2O2 (C19 H21 N2 O2)

Compound Name

3-[2-(4-ethoxyphenyl)-2-oxoethyl]-1,2-dimethyl-1H-1,3-benzodiazol-3-ium

IUPAC name

3-[2-(4-ethoxyphenyl)-2-oxoethyl]-12-dimethyl-1H-13-benzodiazol-3-ium

SMILES

CCOc(cc1)ccc1C(C[n+]1c(C)n(C)c2c1cccc2)=O

InChI

InChI=1S/C19H21N2O2/c1-4-23-16-11-9-15(10-12-16)19(22)13-21-14(2)20(3)17-7-5-6-8-18(17)21/h5-12H,4,13H2,1-3H3/q+1

InChI Key

YSOFBEUBRLSRPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00767744

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

309.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.221

Distribution Coefficient, logD

3.221

Water Solubility, LogSw

-3.24

Polar Surface Area

25.023

Acid Dissociation Constant (pKa)

18.42

Base Dissociation Constant (pKb)

-1.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

References: we are preparing a list of scientific research reports with 1187-1523 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1187-1523?
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What is the minimum amount of 1187-1523 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1187-1523
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1187-1523
  • 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 1187-1523 available by request