3910-0471 Screening compound: 1-[3-(cyclohexyloxy)-2-hydroxypropyl]-3-methyl-2-propyl-1H-1,3-benzodiazol-3-ium

3910-0471 Screening compound: 1-[3-(cyclohexyloxy)-2-hydroxypropyl]-3-methyl-2-propyl-1H-1,3-benzodiazol-3-ium
3910-0471 Screening compound: 1-[3-(cyclohexyloxy)-2-hydroxypropyl]-3-methyl-2-propyl-1H-1,3-benzodiazol-3-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 3910-0471
1-[3-(cyclohexyloxy)-2-hydroxypropyl]-3-methyl-2-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

3910-0471

Molecular Formula

C20H31N2O2 (C20 H31 N2 O2)

Compound Name

1-[3-(cyclohexyloxy)-2-hydroxypropyl]-3-methyl-2-propyl-1H-1,3-benzodiazol-3-ium

IUPAC name

1-[3-(cyclohexyloxy)-2-hydroxypropyl]-3-methyl-2-propyl-1H-13-benzodiazol-3-ium

SMILES

CCCc1[n+](C)c(cccc2)c2n1CC(COC1CCCCC1)O

InChI

InChI=1S/C20H31N2O2/c1-3-9-20-21(2)18-12-7-8-13-19(18)22(20)14-16(23)15-24-17-10-5-4-6-11-17/h7-8,12-13,16-17,23H,3-6,9-11,14-15H2,1-2H3/q+1/t16-/m0/s1

InChI Key

BCGJKFGIKCFUBR-INIZCTEOSA-N

MDL Number (MFCD)

MFCD02578757

Chemical and Physical Properties

Saltdata

I-

Molecular Weight

331.48

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

4.348

Distribution Coefficient, logD

4.348

Water Solubility, LogSw

-4.13

Polar Surface Area

27.498

Acid Dissociation Constant (pKa)

14.97

Base Dissociation Constant (pKb)

-2.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.00

3910-0471 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3910-0471 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3910-0471?
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What is the minimum amount of 3910-0471 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3910-0471
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3910-0471
  • 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 3910-0471 available by request