5010-0575 Screening compound: 1-[3-(4-acetylphenoxy)-2-hydroxypropyl]-3-methyl-1H-1,3-benzodiazol-3-ium

5010-0575 Screening compound: 1-[3-(4-acetylphenoxy)-2-hydroxypropyl]-3-methyl-1H-1,3-benzodiazol-3-ium
5010-0575 Screening compound: 1-[3-(4-acetylphenoxy)-2-hydroxypropyl]-3-methyl-1H-1,3-benzodiazol-3-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 5010-0575
1-[3-(4-acetylphenoxy)-2-hydroxypropyl]-3-methyl-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

5010-0575

Molecular Formula

C19H21N2O3 (C19 H21 N2 O3)

Compound Name

1-[3-(4-acetylphenoxy)-2-hydroxypropyl]-3-methyl-1H-1,3-benzodiazol-3-ium

IUPAC name

1-[3-(4-acetylphenoxy)-2-hydroxypropyl]-3-methyl-1H-13-benzodiazol-3-ium

SMILES

CC(c(cc1)ccc1OCC(Cn1c(cccc2)c2[n+](C)c1)O)=O

InChI

InChI=1S/C19H21N2O3/c1-14(22)15-7-9-17(10-8-15)24-12-16(23)11-21-13-20(2)18-5-3-4-6-19(18)21/h3-10,13,16,23H,11-12H2,1-2H3/q+1/t16-/m0/s1

InChI Key

OMNRPNDUFUEXKO-INIZCTEOSA-N

MDL Number (MFCD)

MFCD03445300

Chemical and Physical Properties

Saltdata

I-

Molecular Weight

325.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.391

Distribution Coefficient, logD

2.391

Water Solubility, LogSw

-2.47

Polar Surface Area

41.906

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

References: we are preparing a list of scientific research reports with 5010-0575 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5010-0575?
Check Price and Availability of 5010-0575, 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 5010-0575 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5010-0575
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5010-0575
  • 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 5010-0575 available by request