1187-1446 Screening compound: 1-(4-methylphenyl)-2-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium

1187-1446 Screening compound: 1-(4-methylphenyl)-2-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium
1187-1446 Screening compound: 1-(4-methylphenyl)-2-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 1187-1446
1-(4-methylphenyl)-2-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium

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

1187-1446

Molecular Formula

C21H23N2 (C21 H23 N2)

Compound Name

1-(4-methylphenyl)-2-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium

IUPAC name

1-(4-methylphenyl)-2-phenyl-5H6H7H8H9H-1lambda5-imidazo[12-a]azepin-1-ylium

SMILES

Cc(cc1)ccc1-[n+]1c(CCCCC2)n2cc1-c1ccccc1

InChI

InChI=1S/C21H23N2/c1-17-11-13-19(14-12-17)23-20(18-8-4-2-5-9-18)16-22-15-7-3-6-10-21(22)23/h2,4-5,8-9,11-14,16H,3,6-7,10,15H2,1H3/q+1

InChI Key

AJMZMBFVYSTERW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01037750

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

303.43

Hydrogen Bond Acceptors Count

0.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.149

Distribution Coefficient, logD

5.149

Water Solubility, LogSw

-4.88

Polar Surface Area

5.070

Acid Dissociation Constant (pKa)

27.09

Base Dissociation Constant (pKb)

-1.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

1187-1446 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 1187-1446 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1187-1446?
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What is the minimum amount of 1187-1446 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1187-1446
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1187-1446
  • 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 1187-1446 available by request