D011-4105 Screening compound: {1-[3-(3-methylphenoxy)propyl]-1H-1,3-benzodiazol-2-yl}methanol

D011-4105 Screening compound: {1-[3-(3-methylphenoxy)propyl]-1H-1,3-benzodiazol-2-yl}methanol
D011-4105 Screening compound: {1-[3-(3-methylphenoxy)propyl]-1H-1,3-benzodiazol-2-yl}methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-4105
{1-[3-(3-methylphenoxy)propyl]-1H-1,3-benzodiazol-2-yl}methanol

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

D011-4105

Molecular Formula

C18H20N2O2 (C18 H20 N2 O2)

Compound Name

{1-[3-(3-methylphenoxy)propyl]-1H-1,3-benzodiazol-2-yl}methanol

IUPAC name

{1-[3-(3-methylphenoxy)propyl]-1H-13-benzodiazol-2-yl}methanol

SMILES

Cc1cccc(OCCCn2c(cccc3)c3nc2CO)c1

InChI

InChI=1S/C18H20N2O2/c1-14-6-4-7-15(12-14)22-11-5-10-20-17-9-3-2-8-16(17)19-18(20)13-21/h2-4,6-9,12,21H,5,10-11,13H2,1H3

InChI Key

SRPNQXIGQJWRRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04212508

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.731

Distribution Coefficient, logD

3.730

Water Solubility, LogSw

-3.82

Polar Surface Area

35.655

Acid Dissociation Constant (pKa)

14.71

Base Dissociation Constant (pKb)

4.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

D011-4105 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

CNS targets activity set (6557 compounds)

Targeted Diversity Library (40567 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
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D011-4105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-4105?
Check Price and Availability of D011-4105, 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 D011-4105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-4105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-4105
  • 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 D011-4105 available by request