K906-0196 Screening compound: cyclohexyl(2,3-dihydro-1H-imidazo[1,2-a][1,3]benzimidazol-1-yl)methanone

K906-0196 Screening compound: cyclohexyl(2,3-dihydro-1H-imidazo[1,2-a][1,3]benzimidazol-1-yl)methanone
K906-0196 Screening compound: cyclohexyl(2,3-dihydro-1H-imidazo[1,2-a][1,3]benzimidazol-1-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-0196
cyclohexyl(2,3-dihydro-1H-imidazo[1,2-a][1,3]benzimidazol-1-yl)methanone

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

K906-0196

Molecular Formula

C16H19N3O (C16 H19 N3 O)

Compound Name

cyclohexyl(2,3-dihydro-1H-imidazo[1,2-a][1,3]benzimidazol-1-yl)methanone

IUPAC name

5-cyclohexanecarbonyl-257-triazatricyclo[6.4.0.0^{26}]dodeca-1(12)6810-tetraene

SMILES

O=C(C1CCCCC1)N1c2nc(cccc3)c3n2CC1

InChI

InChI=1S/C16H19N3O/c20-15(12-6-2-1-3-7-12)19-11-10-18-14-9-5-4-8-13(14)17-16(18)19/h4-5,8-9,12H,1-3,6-7,10-11H2

InChI Key

YYIMQYSDVAZQTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02924621

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

269.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.585

Distribution Coefficient, logD

2.816

Water Solubility, LogSw

-3.43

Polar Surface Area

26.037

Acid Dissociation Constant (pKa)

23.00

Base Dissociation Constant (pKb)

8.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

K906-0196 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K906-0196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-0196?
Check Price and Availability of K906-0196, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K906-0196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-0196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-0196
  • 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 K906-0196 available by request