3910-0468 Screening compound: 1-[3-(cyclohexyloxy)-2-hydroxypropyl]-2,3-dimethyl-1H-1,3-benzodiazol-3-ium

3910-0468 Screening compound: 1-[3-(cyclohexyloxy)-2-hydroxypropyl]-2,3-dimethyl-1H-1,3-benzodiazol-3-ium
3910-0468 Screening compound: 1-[3-(cyclohexyloxy)-2-hydroxypropyl]-2,3-dimethyl-1H-1,3-benzodiazol-3-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 3910-0468
1-[3-(cyclohexyloxy)-2-hydroxypropyl]-2,3-dimethyl-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

3910-0468

Molecular Formula

C18H27N2O2 (C18 H27 N2 O2)

Compound Name

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

IUPAC name

1-[3-(cyclohexyloxy)-2-hydroxypropyl]-23-dimethyl-1H-13-benzodiazol-3-ium

SMILES

Cc1[n+](C)c(cccc2)c2n1CC(COC1CCCCC1)O

InChI

InChI=1S/C18H27N2O2/c1-14-19(2)17-10-6-7-11-18(17)20(14)12-15(21)13-22-16-8-4-3-5-9-16/h6-7,10-11,15-16,21H,3-5,8-9,12-13H2,1-2H3/q+1/t15-/m0/s1

InChI Key

UJJIWSHIAQHBPD-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD02578755

Chemical and Physical Properties

Saltdata

I-

Molecular Weight

303.42

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.170

Distribution Coefficient, logD

3.170

Water Solubility, LogSw

-2.86

Polar Surface Area

28.477

Acid Dissociation Constant (pKa)

14.97

Base Dissociation Constant (pKb)

-2.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.10

3910-0468 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3910-0468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3910-0468?
Check Price and Availability of 3910-0468, 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 3910-0468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3910-0468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3910-0468
  • 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 3910-0468 available by request