4394-0109 Screening compound: 4-(4-bromophenyl)-2-(7-methoxy-2H-1,3-benzodioxol-5-yl)-5-phenyl-1H-imidazole

4394-0109 Screening compound: 4-(4-bromophenyl)-2-(7-methoxy-2H-1,3-benzodioxol-5-yl)-5-phenyl-1H-imidazole
4394-0109 Screening compound: 4-(4-bromophenyl)-2-(7-methoxy-2H-1,3-benzodioxol-5-yl)-5-phenyl-1H-imidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4394-0109
4-(4-bromophenyl)-2-(7-methoxy-2H-1,3-benzodioxol-5-yl)-5-phenyl-1H-imidazole

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

4394-0109

Molecular Formula

C23H17BrN2O3 (C23 H17 BrN2 O3)

Compound Name

4-(4-bromophenyl)-2-(7-methoxy-2H-1,3-benzodioxol-5-yl)-5-phenyl-1H-imidazole

IUPAC name

4-(4-bromophenyl)-2-(7-methoxy-2H-13-benzodioxol-5-yl)-5-phenyl-1H-imidazole

SMILES

COc1c2OCOc2cc(-c2nc(-c(cc3)ccc3Br)c(-c3ccccc3)[nH]2)c1

InChI

InChI=1S/C23H17BrN2O3/c1-27-18-11-16(12-19-22(18)29-13-28-19)23-25-20(14-5-3-2-4-6-14)21(26-23)15-7-9-17(24)10-8-15/h2-12H,13H2,1H3,(H,25,26)

InChI Key

KEHSNGBOVHVXGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02040145

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.145

Distribution Coefficient, logD

6.127

Water Solubility, LogSw

-5.71

Polar Surface Area

44.984

Acid Dissociation Constant (pKa)

6.18

Base Dissociation Constant (pKb)

6.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

4394-0109 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antiviral Annotated Library (21441 compounds)

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

Human GPCR Annotated Library (5539 compounds)

Regenerative Medicine Focused Library (23016 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4394-0109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4394-0109?
Check Price and Availability of 4394-0109, 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 4394-0109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4394-0109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4394-0109
  • 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 4394-0109 available by request