5103-0524 Screening compound: 2,3-diethyl-1-[3-(4-fluorophenoxy)-2-hydroxypropyl]-1H-1,3-benzodiazol-3-ium

5103-0524 Screening compound: 2,3-diethyl-1-[3-(4-fluorophenoxy)-2-hydroxypropyl]-1H-1,3-benzodiazol-3-ium
5103-0524 Screening compound: 2,3-diethyl-1-[3-(4-fluorophenoxy)-2-hydroxypropyl]-1H-1,3-benzodiazol-3-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 5103-0524
2,3-diethyl-1-[3-(4-fluorophenoxy)-2-hydroxypropyl]-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

5103-0524

Molecular Formula

C20H24FN2O2 (C20 H24 FN2 O2)

Compound Name

2,3-diethyl-1-[3-(4-fluorophenoxy)-2-hydroxypropyl]-1H-1,3-benzodiazol-3-ium

IUPAC name

23-diethyl-1-[3-(4-fluorophenoxy)-2-hydroxypropyl]-1H-13-benzodiazol-3-ium

SMILES

CCc1[n+](CC)c(cccc2)c2n1CC(COc(cc1)ccc1F)O

InChI

InChI=1S/C20H24FN2O2/c1-3-20-22(4-2)18-7-5-6-8-19(18)23(20)13-16(24)14-25-17-11-9-15(21)10-12-17/h5-12,16,24H,3-4,13-14H2,1-2H3/q+1/t16-/m0/s1

InChI Key

DLNWWLVDEUZBET-INIZCTEOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

I-

Molecular Weight

343.42

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.434

Distribution Coefficient, logD

4.434

Water Solubility, LogSw

-4.15

Polar Surface Area

26.707

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

-2.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with 5103-0524 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5103-0524?
Check Price and Availability of 5103-0524, 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 5103-0524 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5103-0524
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5103-0524
  • 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 5103-0524 available by request