5813-0119 Screening compound: 1-[3-(3-methylphenoxy)propyl]-1H-imidazole

5813-0119 Screening compound: 1-[3-(3-methylphenoxy)propyl]-1H-imidazole
5813-0119 Screening compound: 1-[3-(3-methylphenoxy)propyl]-1H-imidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 5813-0119
1-[3-(3-methylphenoxy)propyl]-1H-imidazole

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

5813-0119

Molecular Formula

C13H16N2O (C13 H16 N2 O)

Compound Name

1-[3-(3-methylphenoxy)propyl]-1H-imidazole

IUPAC name

1-[3-(3-methylphenoxy)propyl]-1H-imidazole

SMILES

Cc1cccc(OCCCn2cncc2)c1

InChI

InChI=1S/C13H16N2O/c1-12-4-2-5-13(10-12)16-9-3-7-15-8-6-14-11-15/h2,4-6,8,10-11H,3,7,9H2,1H3

InChI Key

UOZNGQMEJNZLKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00812850

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

216.28

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.660

Distribution Coefficient, logD

2.596

Water Solubility, LogSw

-2.50

Polar Surface Area

20.185

Acid Dissociation Constant (pKa)

24.77

Base Dissociation Constant (pKb)

6.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.77

5813-0119 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

STING Agonist Library (5895 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 5813-0119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5813-0119?
Check Price and Availability of 5813-0119, 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 5813-0119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5813-0119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5813-0119
  • 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 5813-0119 available by request