C147-0180 Screening compound: 2-[(4-fluorophenoxy)methyl]-1-methyl-1H-1,3-benzodiazole

C147-0180 Screening compound: 2-[(4-fluorophenoxy)methyl]-1-methyl-1H-1,3-benzodiazole
C147-0180 Screening compound: 2-[(4-fluorophenoxy)methyl]-1-methyl-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C147-0180
2-[(4-fluorophenoxy)methyl]-1-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

C147-0180

Molecular Formula

C15H13FN2O (C15 H13 FN2 O)

Compound Name

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

IUPAC name

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

SMILES

Cn1c(cccc2)c2nc1COc(cc1)ccc1F

InChI

InChI=1S/C15H13FN2O/c1-18-14-5-3-2-4-13(14)17-15(18)10-19-12-8-6-11(16)7-9-12/h2-9H,10H2,1H3

InChI Key

UELQPMYVOWTTFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01794578

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

256.28

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.188

Distribution Coefficient, logD

3.187

Water Solubility, LogSw

-3.16

Polar Surface Area

19.452

Acid Dissociation Constant (pKa)

26.49

Base Dissociation Constant (pKb)

4.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

C147-0180 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS BBB Library (22607 compounds)

Cardiovascular Library (22201 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular

References: we are preparing a list of scientific research reports with C147-0180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C147-0180?
Check Price and Availability of C147-0180, 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 C147-0180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C147-0180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C147-0180
  • 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 C147-0180 available by request