6383-0931 Screening compound: N-[(4-methoxyphenyl)methyl]-1-(prop-2-en-1-yl)-1H-1,3-benzodiazol-2-amine

6383-0931 Screening compound: N-[(4-methoxyphenyl)methyl]-1-(prop-2-en-1-yl)-1H-1,3-benzodiazol-2-amine
6383-0931 Screening compound: N-[(4-methoxyphenyl)methyl]-1-(prop-2-en-1-yl)-1H-1,3-benzodiazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6383-0931
N-[(4-methoxyphenyl)methyl]-1-(prop-2-en-1-yl)-1H-1,3-benzodiazol-2-amine

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

6383-0931

Molecular Formula

C18H19N3O (C18 H19 N3 O)

Compound Name

N-[(4-methoxyphenyl)methyl]-1-(prop-2-en-1-yl)-1H-1,3-benzodiazol-2-amine

IUPAC name

N-[(4-methoxyphenyl)methyl]-1-(prop-2-en-1-yl)-1H-13-benzodiazol-2-amine

SMILES

COc1ccc(CNc2nc(cccc3)c3n2CC=C)cc1

InChI

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

InChI Key

SWIVYQUTPQGRRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04141882

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.37

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.868

Distribution Coefficient, logD

3.825

Water Solubility, LogSw

-4.13

Polar Surface Area

30.103

Acid Dissociation Constant (pKa)

20.32

Base Dissociation Constant (pKb)

6.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

6383-0931 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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 6383-0931 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6383-0931?
Check Price and Availability of 6383-0931, 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 6383-0931 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6383-0931
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6383-0931
  • 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 6383-0931 available by request