5794-0828 Screening compound: 2-(4-methoxybenzoyl)-1H,4H,5H,6H,7H,8H-cyclohepta[d]imidazol-1-ol

5794-0828 Screening compound: 2-(4-methoxybenzoyl)-1H,4H,5H,6H,7H,8H-cyclohepta[d]imidazol-1-ol
5794-0828 Screening compound: 2-(4-methoxybenzoyl)-1H,4H,5H,6H,7H,8H-cyclohepta[d]imidazol-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5794-0828
2-(4-methoxybenzoyl)-1H,4H,5H,6H,7H,8H-cyclohepta[d]imidazol-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

5794-0828

Molecular Formula

C16H18N2O3 (C16 H18 N2 O3)

Compound Name

2-(4-methoxybenzoyl)-1H,4H,5H,6H,7H,8H-cyclohepta[d]imidazol-1-ol

IUPAC name

2-(4-methoxybenzoyl)-1H4H5H6H7H8H-cyclohepta[d]imidazol-1-ol

SMILES

COc(cc1)ccc1C(c1nc(CCCCC2)c2n1O)=O

InChI

InChI=1S/C16H18N2O3/c1-21-12-9-7-11(8-10-12)15(19)16-17-13-5-3-2-4-6-14(13)18(16)20/h7-10,20H,2-6H2,1H3

InChI Key

PHQLIQXVYQWUAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02919558

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.890

Distribution Coefficient, logD

1.766

Water Solubility, LogSw

-3.09

Polar Surface Area

50.786

Acid Dissociation Constant (pKa)

6.31

Base Dissociation Constant (pKb)

4.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

5794-0828 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5794-0828 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5794-0828?
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What is the minimum amount of 5794-0828 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5794-0828
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5794-0828
  • 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 5794-0828 available by request