8009-5016 Screening compound: (1-benzyl-1H-imidazol-2-yl)(3,4-dimethoxyphenyl)methanol

8009-5016 Screening compound: (1-benzyl-1H-imidazol-2-yl)(3,4-dimethoxyphenyl)methanol
8009-5016 Screening compound: (1-benzyl-1H-imidazol-2-yl)(3,4-dimethoxyphenyl)methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-5016
(1-benzyl-1H-imidazol-2-yl)(3,4-dimethoxyphenyl)methanol

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

8009-5016

Molecular Formula

C19H20N2O3 (C19 H20 N2 O3)

Compound Name

(1-benzyl-1H-imidazol-2-yl)(3,4-dimethoxyphenyl)methanol

IUPAC name

(1-benzyl-1H-imidazol-2-yl)(34-dimethoxyphenyl)methanol

SMILES

COc(ccc(C(c1nccn1Cc1ccccc1)O)c1)c1OC

InChI

InChI=1S/C19H20N2O3/c1-23-16-9-8-15(12-17(16)24-2)18(22)19-20-10-11-21(19)13-14-6-4-3-5-7-14/h3-12,18,22H,13H2,1-2H3/t18-/m1/s1

InChI Key

RHHZBPRGQBAGKH-GOSISDBHSA-N

MDL Number (MFCD)

MFCD01821620

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.314

Distribution Coefficient, logD

2.283

Water Solubility, LogSw

-2.46

Polar Surface Area

42.422

Acid Dissociation Constant (pKa)

14.49

Base Dissociation Constant (pKb)

6.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

8009-5016 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with 8009-5016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-5016?
Check Price and Availability of 8009-5016, 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 8009-5016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-5016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-5016
  • 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 8009-5016 available by request