D094-0014 Screening compound: 9-allyl-2-(1,3-benzodioxol-5-yl)-9H-imidazo[1,2-a][1,3]benzimidazole

D094-0014 Screening compound: 9-allyl-2-(1,3-benzodioxol-5-yl)-9H-imidazo[1,2-a][1,3]benzimidazole
D094-0014 Screening compound: 9-allyl-2-(1,3-benzodioxol-5-yl)-9H-imidazo[1,2-a][1,3]benzimidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D094-0014
9-allyl-2-(1,3-benzodioxol-5-yl)-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

D094-0014

Molecular Formula

C19H15N3O2 (C19 H15 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

C=CCn1c2nc(-c(cc3)cc4c3OCO4)cn2c2c1cccc2

InChI

InChI=1S/C19H15N3O2/c1-2-9-21-15-5-3-4-6-16(15)22-11-14(20-19(21)22)13-7-8-17-18(10-13)24-12-23-17/h2-8,10-11H,1,9,12H2

InChI Key

WZRRNPYXRKEIPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06612147

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

317.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.160

Distribution Coefficient, logD

1.324

Water Solubility, LogSw

-4.40

Polar Surface Area

28.659

Acid Dissociation Constant (pKa)

27.07

Base Dissociation Constant (pKb)

10.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

D094-0014 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiparasite Library (23996 compounds)

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

DGK Inhibitors Library (10558 compounds)

Akt-Targeted Library (14764 compounds)

Antibacterial Compounds Library (13827 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D094-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D094-0014?
Check Price and Availability of D094-0014, 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 D094-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D094-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D094-0014
  • 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 D094-0014 available by request