C147-0116 Screening compound: 4-methyl-N-{[1-(2-phenoxyethyl)-1H-1,3-benzodiazol-2-yl]methyl}aniline

C147-0116 Screening compound: 4-methyl-N-{[1-(2-phenoxyethyl)-1H-1,3-benzodiazol-2-yl]methyl}aniline
C147-0116 Screening compound: 4-methyl-N-{[1-(2-phenoxyethyl)-1H-1,3-benzodiazol-2-yl]methyl}aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound C147-0116
4-methyl-N-{[1-(2-phenoxyethyl)-1H-1,3-benzodiazol-2-yl]methyl}aniline

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

C147-0116

Molecular Formula

C23H23N3O (C23 H23 N3 O)

Compound Name

4-methyl-N-{[1-(2-phenoxyethyl)-1H-1,3-benzodiazol-2-yl]methyl}aniline

IUPAC name

4-methyl-N-{[1-(2-phenoxyethyl)-1H-13-benzodiazol-2-yl]methyl}aniline

SMILES

Cc(cc1)ccc1NCc1nc(cccc2)c2n1CCOc1ccccc1

InChI

InChI=1S/C23H23N3O/c1-18-11-13-19(14-12-18)24-17-23-25-21-9-5-6-10-22(21)26(23)15-16-27-20-7-3-2-4-8-20/h2-14,24H,15-17H2,1H3

InChI Key

JYMNKQGRBJXPFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05998040

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.46

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.600

Distribution Coefficient, logD

5.600

Water Solubility, LogSw

-5.59

Polar Surface Area

28.774

Acid Dissociation Constant (pKa)

18.61

Base Dissociation Constant (pKb)

2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

C147-0116 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C147-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C147-0116?
Check Price and Availability of C147-0116, 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 C147-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C147-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C147-0116
  • 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 C147-0116 available by request