D094-0013 Screening compound: 2-(1,3-benzodioxol-5-yl)-9-butyl-9H-imidazo[1,2-a][1,3]benzimidazole

D094-0013 Screening compound: 2-(1,3-benzodioxol-5-yl)-9-butyl-9H-imidazo[1,2-a][1,3]benzimidazole
D094-0013 Screening compound: 2-(1,3-benzodioxol-5-yl)-9-butyl-9H-imidazo[1,2-a][1,3]benzimidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D094-0013
2-(1,3-benzodioxol-5-yl)-9-butyl-9H-imidazo[1,2-a][1,3]benzimidazole

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

D094-0013

Molecular Formula

C20H19N3O2 (C20 H19 N3 O2)

Compound Name

2-(1,3-benzodioxol-5-yl)-9-butyl-9H-imidazo[1,2-a][1,3]benzimidazole

IUPAC name

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

SMILES

CCCCn1c2nc(-c(cc3)cc4c3OCO4)cn2c2c1cccc2

InChI

InChI=1S/C20H19N3O2/c1-2-3-10-22-16-6-4-5-7-17(16)23-12-15(21-20(22)23)14-8-9-18-19(11-14)25-13-24-18/h4-9,11-12H,2-3,10,13H2,1H3

InChI Key

HXTSEXFNDVYOHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05682381

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

333.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.824

Distribution Coefficient, logD

1.588

Water Solubility, LogSw

-4.46

Polar Surface Area

28.659

Acid Dissociation Constant (pKa)

24.85

Base Dissociation Constant (pKb)

10.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D094-0013 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

DGK Inhibitors Library (10558 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D094-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D094-0013?
Check Price and Availability of D094-0013, 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 D094-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D094-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D094-0013
  • 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 D094-0013 available by request