D094-0016 Screening compound: N-{2-[2-(1,3-benzodioxol-5-yl)-9H-imidazo[1,2-a][1,3]benzimidazol-9-yl]ethyl}-N,N-diethylamine

D094-0016 Screening compound: N-{2-[2-(1,3-benzodioxol-5-yl)-9H-imidazo[1,2-a][1,3]benzimidazol-9-yl]ethyl}-N,N-diethylamine
D094-0016 Screening compound: N-{2-[2-(1,3-benzodioxol-5-yl)-9H-imidazo[1,2-a][1,3]benzimidazol-9-yl]ethyl}-N,N-diethylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound D094-0016
N-{2-[2-(1,3-benzodioxol-5-yl)-9H-imidazo[1,2-a][1,3]benzimidazol-9-yl]ethyl}-N,N-diethylamine

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

D094-0016

Molecular Formula

C22H24N4O2 (C22 H24 N4 O2)

Compound Name

N-{2-[2-(1,3-benzodioxol-5-yl)-9H-imidazo[1,2-a][1,3]benzimidazol-9-yl]ethyl}-N,N-diethylamine

IUPAC name

{2-[4-(2H-13-benzodioxol-5-yl)-257-triazatricyclo[6.4.0.0^{26}]dodeca-1(12)35810-pentaen-7-yl]ethyl}diethylamine

SMILES

CCN(CC)CCn1c2nc(-c(cc3)cc4c3OCO4)cn2c2c1cccc2

InChI

InChI=1S/C22H24N4O2/c1-3-24(4-2)11-12-25-18-7-5-6-8-19(18)26-14-17(23-22(25)26)16-9-10-20-21(13-16)28-15-27-20/h5-10,13-14H,3-4,11-12,15H2,1-2H3

InChI Key

UVSGQLOFTIDYKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05681704

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

376.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.293

Distribution Coefficient, logD

1.339

Water Solubility, LogSw

-4.08

Polar Surface Area

32.070

Acid Dissociation Constant (pKa)

24.82

Base Dissociation Constant (pKb)

10.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

D094-0016 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

DGK Inhibitors Library (10558 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Purinergic Library (3321 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Nervous system
  • Cardiovascular
  • Metabolic
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Others
  • GPCR
  • Ion Channels
  • Ion Channels
Mechanism of action:
  • Epigenetic
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D094-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D094-0016?
Check Price and Availability of D094-0016, 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 D094-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D094-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D094-0016
  • 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 D094-0016 available by request