3910-0444 Screening compound: 1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-2-ethyl-3-methyl-1H-1,3-benzodiazol-3-ium

3910-0444 Screening compound: 1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-2-ethyl-3-methyl-1H-1,3-benzodiazol-3-ium
3910-0444 Screening compound: 1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-2-ethyl-3-methyl-1H-1,3-benzodiazol-3-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 3910-0444
1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-2-ethyl-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

3910-0444

Molecular Formula

C21H27N2O2 (C21 H27 N2 O2)

Compound Name

1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-2-ethyl-3-methyl-1H-1,3-benzodiazol-3-ium

IUPAC name

1-[3-(26-dimethylphenoxy)-2-hydroxypropyl]-2-ethyl-3-methyl-1H-13-benzodiazol-3-ium

SMILES

CCc1[n+](C)c(cccc2)c2n1CC(COc1c(C)cccc1C)O

InChI

InChI=1S/C21H27N2O2/c1-5-20-22(4)18-11-6-7-12-19(18)23(20)13-17(24)14-25-21-15(2)9-8-10-16(21)3/h6-12,17,24H,5,13-14H2,1-4H3/q+1/t17-/m0/s1

InChI Key

SNKAXSROYUIKNW-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD02578738

Chemical and Physical Properties

Saltdata

I-

Molecular Weight

339.46

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.668

Distribution Coefficient, logD

4.668

Water Solubility, LogSw

-4.42

Polar Surface Area

27.965

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with 3910-0444 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3910-0444?
Check Price and Availability of 3910-0444, 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 3910-0444 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3910-0444
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3910-0444
  • 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 3910-0444 available by request