5010-0487 Screening compound: 3-ethyl-1-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-1H-1,3-benzodiazol-3-ium

5010-0487 Screening compound: 3-ethyl-1-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-1H-1,3-benzodiazol-3-ium
5010-0487 Screening compound: 3-ethyl-1-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-1H-1,3-benzodiazol-3-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 5010-0487
3-ethyl-1-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-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

5010-0487

Molecular Formula

C19H23N2O3 (C19 H23 N2 O3)

Compound Name

3-ethyl-1-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-1H-1,3-benzodiazol-3-ium

IUPAC name

3-ethyl-1-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-1H-13-benzodiazol-3-ium

SMILES

CC[n+]1cn(CC(COc(cccc2)c2OC)O)c2c1cccc2

InChI

InChI=1S/C19H23N2O3/c1-3-20-14-21(17-9-5-4-8-16(17)20)12-15(22)13-24-19-11-7-6-10-18(19)23-2/h4-11,14-15,22H,3,12-13H2,1-2H3/q+1/t15-/m0/s1

InChI Key

WBURJNXHZZBLKC-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD03445278

Chemical and Physical Properties

Saltdata

I-

Molecular Weight

327.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.034

Distribution Coefficient, logD

3.034

Water Solubility, LogSw

-3.04

Polar Surface Area

34.965

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

-2.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with 5010-0487 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5010-0487?
Check Price and Availability of 5010-0487, 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 5010-0487 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5010-0487
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5010-0487
  • 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 5010-0487 available by request