D125-1490 Screening compound: 1-ethyl-2-{[2-(prop-2-en-1-yl)phenoxy]methyl}-1H-1,3-benzodiazole

D125-1490 Screening compound: 1-ethyl-2-{[2-(prop-2-en-1-yl)phenoxy]methyl}-1H-1,3-benzodiazole
D125-1490 Screening compound: 1-ethyl-2-{[2-(prop-2-en-1-yl)phenoxy]methyl}-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D125-1490
1-ethyl-2-{[2-(prop-2-en-1-yl)phenoxy]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

D125-1490

Molecular Formula

C19H20N2O (C19 H20 N2 O)

Compound Name

1-ethyl-2-{[2-(prop-2-en-1-yl)phenoxy]methyl}-1H-1,3-benzodiazole

IUPAC name

1-ethyl-2-{[2-(prop-2-en-1-yl)phenoxy]methyl}-1H-13-benzodiazole

SMILES

CCn1c(cccc2)c2nc1COc1c(CC=C)cccc1

InChI

InChI=1S/C19H20N2O/c1-3-9-15-10-5-8-13-18(15)22-14-19-20-16-11-6-7-12-17(16)21(19)4-2/h3,5-8,10-13H,1,4,9,14H2,2H3

InChI Key

NTQVVNTYBANVKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14812230

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.38

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.813

Distribution Coefficient, logD

4.813

Water Solubility, LogSw

-4.72

Polar Surface Area

18.454

Acid Dissociation Constant (pKa)

24.13

Base Dissociation Constant (pKb)

4.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

D125-1490 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Cardiovascular Library (22201 compounds)

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 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:
  • Cardiovascular

References: we are preparing a list of scientific research reports with D125-1490 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D125-1490?
Check Price and Availability of D125-1490, 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 D125-1490 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D125-1490
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D125-1490
  • 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 D125-1490 available by request