D011-3934 Screening compound: 1-[2-(4-chlorophenoxy)ethyl]-2-[(4-methylphenoxy)methyl]-1H-1,3-benzodiazole

D011-3934 Screening compound: 1-[2-(4-chlorophenoxy)ethyl]-2-[(4-methylphenoxy)methyl]-1H-1,3-benzodiazole
D011-3934 Screening compound: 1-[2-(4-chlorophenoxy)ethyl]-2-[(4-methylphenoxy)methyl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-3934
1-[2-(4-chlorophenoxy)ethyl]-2-[(4-methylphenoxy)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

D011-3934

Molecular Formula

C23H21ClN2O2 (C23 H21 ClN2 O2)

Compound Name

1-[2-(4-chlorophenoxy)ethyl]-2-[(4-methylphenoxy)methyl]-1H-1,3-benzodiazole

IUPAC name

1-[2-(4-chlorophenoxy)ethyl]-2-[(4-methylphenoxy)methyl]-1H-13-benzodiazole

SMILES

Cc(cc1)ccc1OCc1nc(cccc2)c2n1CCOc(cc1)ccc1Cl

InChI

InChI=1S/C23H21ClN2O2/c1-17-6-10-20(11-7-17)28-16-23-25-21-4-2-3-5-22(21)26(23)14-15-27-19-12-8-18(24)9-13-19/h2-13H,14-16H2,1H3

InChI Key

CNZJCOAESCUTGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04481347

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.88

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.223

Distribution Coefficient, logD

6.223

Water Solubility, LogSw

-6.27

Polar Surface Area

25.767

Acid Dissociation Constant (pKa)

23.66

Base Dissociation Constant (pKb)

2.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

D011-3934 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 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

References: we are preparing a list of scientific research reports with D011-3934 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-3934?
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What is the minimum amount of D011-3934 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-3934
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-3934
  • 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 D011-3934 available by request