5390-1483 Screening compound: 2-{2-imino-3-[2-(4-methylphenoxy)ethyl]-2,3-dihydro-1H-1,3-benzodiazol-1-yl}ethan-1-ol

5390-1483 Screening compound: 2-{2-imino-3-[2-(4-methylphenoxy)ethyl]-2,3-dihydro-1H-1,3-benzodiazol-1-yl}ethan-1-ol
5390-1483 Screening compound: 2-{2-imino-3-[2-(4-methylphenoxy)ethyl]-2,3-dihydro-1H-1,3-benzodiazol-1-yl}ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5390-1483
2-{2-imino-3-[2-(4-methylphenoxy)ethyl]-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

5390-1483

Molecular Formula

C18H21N3O2 (C18 H21 N3 O2)

Compound Name

2-{2-imino-3-[2-(4-methylphenoxy)ethyl]-2,3-dihydro-1H-1,3-benzodiazol-1-yl}ethan-1-ol

IUPAC name

2-{2-imino-3-[2-(4-methylphenoxy)ethyl]-23-dihydro-1H-13-benzodiazol-1-yl}ethan-1-ol

SMILES

Cc(cc1)ccc1OCCN(c(cccc1)c1N1CCO)C1=N

InChI

InChI=1S/C18H21N3O2/c1-14-6-8-15(9-7-14)23-13-11-21-17-5-3-2-4-16(17)20(10-12-22)18(21)19/h2-9,19,22H,10-13H2,1H3

InChI Key

AAFWSFYOGAVKMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03298711

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

311.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.952

Distribution Coefficient, logD

2.787

Water Solubility, LogSw

-3.11

Polar Surface Area

45.884

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

7.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

5390-1483 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 5390-1483 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5390-1483?
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What is the minimum amount of 5390-1483 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5390-1483
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5390-1483
  • 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 5390-1483 available by request