1482-0127 Screening compound: 5-methyl-1,3-bis(prop-2-en-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one

1482-0127 Screening compound: 5-methyl-1,3-bis(prop-2-en-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
1482-0127 Screening compound: 5-methyl-1,3-bis(prop-2-en-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1482-0127
5-methyl-1,3-bis(prop-2-en-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one

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

1482-0127

Molecular Formula

C14H16N2O (C14 H16 N2 O)

Compound Name

5-methyl-1,3-bis(prop-2-en-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one

IUPAC name

5-methyl-13-bis(prop-2-en-1-yl)-23-dihydro-1H-13-benzodiazol-2-one

SMILES

Cc(cc1)cc(N2CC=C)c1N(CC=C)C2=O

InChI

InChI=1S/C14H16N2O/c1-4-8-15-12-7-6-11(3)10-13(12)16(9-5-2)14(15)17/h4-7,10H,1-2,8-9H2,3H3

InChI Key

QOOOFUQKMTVMSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00697906

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

228.29

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.320

Distribution Coefficient, logD

3.320

Water Solubility, LogSw

-3.52

Polar Surface Area

18.348

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-2.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

1482-0127 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Dark Chemical Matter Library (18430 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
  • Pool
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1482-0127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1482-0127?
Check Price and Availability of 1482-0127, 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 1482-0127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1482-0127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1482-0127
  • 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 1482-0127 available by request