D011-4139 Screening compound: 5,6-dimethyl-1-[2-(2-methylphenoxy)ethyl]-1H-1,3-benzodiazole

D011-4139 Screening compound: 5,6-dimethyl-1-[2-(2-methylphenoxy)ethyl]-1H-1,3-benzodiazole
D011-4139 Screening compound: 5,6-dimethyl-1-[2-(2-methylphenoxy)ethyl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-4139
5,6-dimethyl-1-[2-(2-methylphenoxy)ethyl]-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

D011-4139

Molecular Formula

C18H20N2O (C18 H20 N2 O)

Compound Name

5,6-dimethyl-1-[2-(2-methylphenoxy)ethyl]-1H-1,3-benzodiazole

IUPAC name

56-dimethyl-1-[2-(2-methylphenoxy)ethyl]-1H-13-benzodiazole

SMILES

Cc(cccc1)c1OCCn1c(cc(C)c(C)c2)c2nc1

InChI

InChI=1S/C18H20N2O/c1-13-6-4-5-7-18(13)21-9-8-20-12-19-16-10-14(2)15(3)11-17(16)20/h4-7,10-12H,8-9H2,1-3H3

InChI Key

YKRCWFPMPVAHFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04215141

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.37

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.504

Distribution Coefficient, logD

4.504

Water Solubility, LogSw

-4.41

Polar Surface Area

17.906

Acid Dissociation Constant (pKa)

24.02

Base Dissociation Constant (pKb)

4.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

D011-4139 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

CNS BBB Library (22607 compounds)

Cardiovascular Library (22201 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D011-4139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-4139?
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What is the minimum amount of D011-4139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-4139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-4139
  • 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 D011-4139 available by request