5390-1489 Screening compound: 2-{2-imino-3-[(2-methylphenyl)methyl]-2,3-dihydro-1H-1,3-benzodiazol-1-yl}ethan-1-ol

5390-1489 Screening compound: 2-{2-imino-3-[(2-methylphenyl)methyl]-2,3-dihydro-1H-1,3-benzodiazol-1-yl}ethan-1-ol
5390-1489 Screening compound: 2-{2-imino-3-[(2-methylphenyl)methyl]-2,3-dihydro-1H-1,3-benzodiazol-1-yl}ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5390-1489
2-{2-imino-3-[(2-methylphenyl)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

5390-1489

Molecular Formula

C17H19N3O (C17 H19 N3 O)

Compound Name

2-{2-imino-3-[(2-methylphenyl)methyl]-2,3-dihydro-1H-1,3-benzodiazol-1-yl}ethan-1-ol

IUPAC name

2-{2-imino-3-[(2-methylphenyl)methyl]-23-dihydro-1H-13-benzodiazol-1-yl}ethan-1-ol

SMILES

Cc1c(CN(c(cccc2)c2N2CCO)C2=N)cccc1

InChI

InChI=1S/C17H19N3O/c1-13-6-2-3-7-14(13)12-20-16-9-5-4-8-15(16)19(10-11-21)17(20)18/h2-9,18,21H,10-12H2,1H3

InChI Key

GPEGQKRMSAMQQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03288055

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

281.36

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.095

Distribution Coefficient, logD

1.899

Water Solubility, LogSw

-2.93

Polar Surface Area

38.488

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

8.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

5390-1489 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 5390-1489 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5390-1489?
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What is the minimum amount of 5390-1489 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5390-1489
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5390-1489
  • 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 5390-1489 available by request