3357-0431 Screening compound: 1-(furan-2-yl)-2-(3-heptyl-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-yl)ethan-1-ol

3357-0431 Screening compound: 1-(furan-2-yl)-2-(3-heptyl-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-yl)ethan-1-ol
3357-0431 Screening compound: 1-(furan-2-yl)-2-(3-heptyl-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-yl)ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 3357-0431
1-(furan-2-yl)-2-(3-heptyl-2-imino-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

3357-0431

Molecular Formula

C20H27N3O2 (C20 H27 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C20H27N3O2/c1-2-3-4-5-8-13-22-16-10-6-7-11-17(16)23(20(22)21)15-18(24)19-12-9-14-25-19/h6-7,9-12,14,18,21,24H,2-5,8,13,15H2,1H3/t18-/m0/s1

InChI Key

GANLGRNROBRFHX-SFHVURJKSA-N

MDL Number (MFCD)

MFCD01943719

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

341.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.571

Distribution Coefficient, logD

4.417

Water Solubility, LogSw

-4.18

Polar Surface Area

46.563

Acid Dissociation Constant (pKa)

14.77

Base Dissociation Constant (pKb)

7.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

3357-0431 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3357-0431 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3357-0431?
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What is the minimum amount of 3357-0431 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3357-0431
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3357-0431
  • 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 3357-0431 available by request