D011-4117 Screening compound: {1-[2-(4-chlorophenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}methanol

D011-4117 Screening compound: {1-[2-(4-chlorophenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}methanol
D011-4117 Screening compound: {1-[2-(4-chlorophenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-4117
{1-[2-(4-chlorophenoxy)ethyl]-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

D011-4117

Molecular Formula

C16H15ClN2O2 (C16 H15 ClN2 O2)

Compound Name

{1-[2-(4-chlorophenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}methanol

IUPAC name

{1-[2-(4-chlorophenoxy)ethyl]-1H-13-benzodiazol-2-yl}methanol

SMILES

OCc1nc(cccc2)c2n1CCOc(cc1)ccc1Cl

InChI

InChI=1S/C16H15ClN2O2/c17-12-5-7-13(8-6-12)21-10-9-19-15-4-2-1-3-14(15)18-16(19)11-20/h1-8,20H,9-11H2

InChI Key

COLJUYSWWBHKII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03044328

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.76

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.612

Distribution Coefficient, logD

3.612

Water Solubility, LogSw

-3.64

Polar Surface Area

35.655

Acid Dissociation Constant (pKa)

14.71

Base Dissociation Constant (pKb)

4.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

D011-4117 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

Targeted Diversity Library (40567 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with D011-4117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-4117?
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What is the minimum amount of D011-4117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-4117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-4117
  • 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 D011-4117 available by request