5519-0748 Screening compound: 4-methyl-2-({[1-(prop-2-en-1-yl)-1H-1,3-benzodiazol-2-yl]amino}methyl)phenol

5519-0748 Screening compound: 4-methyl-2-({[1-(prop-2-en-1-yl)-1H-1,3-benzodiazol-2-yl]amino}methyl)phenol
5519-0748 Screening compound: 4-methyl-2-({[1-(prop-2-en-1-yl)-1H-1,3-benzodiazol-2-yl]amino}methyl)phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5519-0748
4-methyl-2-({[1-(prop-2-en-1-yl)-1H-1,3-benzodiazol-2-yl]amino}methyl)phenol

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

5519-0748

Molecular Formula

C18H19N3O (C18 H19 N3 O)

Compound Name

4-methyl-2-({[1-(prop-2-en-1-yl)-1H-1,3-benzodiazol-2-yl]amino}methyl)phenol

IUPAC name

4-methyl-2-({[1-(prop-2-en-1-yl)-1H-13-benzodiazol-2-yl]amino}methyl)phenol

SMILES

Cc(cc1)cc(CNc2nc(cccc3)c3n2CC=C)c1O

InChI

InChI=1S/C18H19N3O/c1-3-10-21-16-7-5-4-6-15(16)20-18(21)19-12-14-11-13(2)8-9-17(14)22/h3-9,11,22H,1,10,12H2,2H3,(H,19,20)

InChI Key

XXRYDMOSGQXLFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03676002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.37

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.008

Distribution Coefficient, logD

3.974

Water Solubility, LogSw

-3.70

Polar Surface Area

39.107

Acid Dissociation Constant (pKa)

10.96

Base Dissociation Constant (pKb)

6.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

5519-0748 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Ion Channels Annotated Library (353 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 5519-0748 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5519-0748?
Check Price and Availability of 5519-0748, 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 5519-0748 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5519-0748
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5519-0748
  • 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 5519-0748 available by request