2950-0543 Screening compound: 1-(furan-2-yl)-2-(2-imino-3-methyl-2,3-dihydro-1H-1,3-benzodiazol-1-yl)ethan-1-ol

2950-0543 Screening compound: 1-(furan-2-yl)-2-(2-imino-3-methyl-2,3-dihydro-1H-1,3-benzodiazol-1-yl)ethan-1-ol
2950-0543 Screening compound: 1-(furan-2-yl)-2-(2-imino-3-methyl-2,3-dihydro-1H-1,3-benzodiazol-1-yl)ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 2950-0543
1-(furan-2-yl)-2-(2-imino-3-methyl-2,3-dihydro-1H-1,3-benzodiazol-1-yl)ethan-1-ol

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

2950-0543

Molecular Formula

C14H15N3O2 (C14 H15 N3 O2)

Compound Name

1-(furan-2-yl)-2-(2-imino-3-methyl-2,3-dihydro-1H-1,3-benzodiazol-1-yl)ethan-1-ol

IUPAC name

1-(furan-2-yl)-2-(2-imino-3-methyl-23-dihydro-1H-13-benzodiazol-1-yl)ethan-1-ol

SMILES

CN(c(cccc1)c1N1CC(c2ccco2)O)C1=N

InChI

InChI=1S/C14H15N3O2/c1-16-10-5-2-3-6-11(10)17(14(16)15)9-12(18)13-7-4-8-19-13/h2-8,12,15,18H,9H2,1H3/t12-/m0/s1

InChI Key

PJXUANKSZBRHQK-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD02162165

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

257.29

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.449

Distribution Coefficient, logD

0.884

Water Solubility, LogSw

-1.62

Polar Surface Area

46.350

Acid Dissociation Constant (pKa)

14.77

Base Dissociation Constant (pKb)

7.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

2950-0543 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2950-0543 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2950-0543?
Check Price and Availability of 2950-0543, 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 2950-0543 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2950-0543
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2950-0543
  • 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 2950-0543 available by request