D011-4112 Screening compound: 1-{1-[2-(2-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}ethan-1-ol

D011-4112 Screening compound: 1-{1-[2-(2-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}ethan-1-ol
D011-4112 Screening compound: 1-{1-[2-(2-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-4112
1-{1-[2-(2-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}ethan-1-ol

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

D011-4112

Molecular Formula

C18H20N2O2 (C18 H20 N2 O2)

Compound Name

1-{1-[2-(2-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}ethan-1-ol

IUPAC name

1-{1-[2-(2-methylphenoxy)ethyl]-1H-13-benzodiazol-2-yl}ethan-1-ol

SMILES

CC(c1nc(cccc2)c2n1CCOc1c(C)cccc1)O

InChI

InChI=1S/C18H20N2O2/c1-13-7-3-6-10-17(13)22-12-11-20-16-9-5-4-8-15(16)19-18(20)14(2)21/h3-10,14,21H,11-12H2,1-2H3/t14-/m0/s1

InChI Key

CMXNSIFGFDYLNX-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD03783596

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

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.786

Distribution Coefficient, logD

3.785

Water Solubility, LogSw

-3.95

Polar Surface Area

33.660

Acid Dissociation Constant (pKa)

14.41

Base Dissociation Constant (pKb)

4.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

D011-4112 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

CNS Targets (44014 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 D011-4112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-4112?
Check Price and Availability of D011-4112, 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 D011-4112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-4112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-4112
  • 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 D011-4112 available by request