8013-3447 Screening compound: 2-[(4-chlorophenoxy)methyl]-1H-1,3-benzodiazole

8013-3447 Screening compound: 2-[(4-chlorophenoxy)methyl]-1H-1,3-benzodiazole
8013-3447 Screening compound: 2-[(4-chlorophenoxy)methyl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-3447
2-[(4-chlorophenoxy)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

8013-3447

Molecular Formula

C14H11ClN2O (C14 H11 ClN2 O)

Compound Name

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

IUPAC name

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

SMILES

Clc(cc1)ccc1OCc1nc(cccc2)c2[nH]1

InChI

InChI=1S/C14H11ClN2O/c15-10-5-7-11(8-6-10)18-9-14-16-12-3-1-2-4-13(12)17-14/h1-8H,9H2,(H,16,17)

InChI Key

ITCRYYSSWFKZJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01309797

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

258.71

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.883

Distribution Coefficient, logD

3.883

Water Solubility, LogSw

-4.44

Polar Surface Area

27.748

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

3.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

8013-3447 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS BBB Library (22607 compounds)

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 8013-3447 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-3447?
Check Price and Availability of 8013-3447, 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 8013-3447 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-3447
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-3447
  • 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 8013-3447 available by request