4544-0060 Screening compound: 1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-1H-1,3-benzodiazole

4544-0060 Screening compound: 1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-1H-1,3-benzodiazole
4544-0060 Screening compound: 1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4544-0060
1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-1H-1,3-benzodiazole

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

4544-0060

Molecular Formula

C17H18N2O2 (C17 H18 N2 O2)

Compound Name

1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-1H-1,3-benzodiazole

IUPAC name

1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-1H-13-benzodiazole

SMILES

Cc1nc(cccc2)c2n1CCOc(cc1)ccc1OC

InChI

InChI=1S/C17H18N2O2/c1-13-18-16-5-3-4-6-17(16)19(13)11-12-21-15-9-7-14(20-2)8-10-15/h3-10H,11-12H2,1-2H3

InChI Key

GZGHFLRSXHIGCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02942867

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.34

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.732

Distribution Coefficient, logD

3.732

Water Solubility, LogSw

-3.97

Polar Surface Area

25.884

Acid Dissociation Constant (pKa)

23.66

Base Dissociation Constant (pKb)

4.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

4544-0060 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

CNS BBB Library (22607 compounds)

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4544-0060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4544-0060?
Check Price and Availability of 4544-0060, 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 4544-0060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4544-0060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4544-0060
  • 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 4544-0060 available by request