D011-4586 Screening compound: 5,6-dimethyl-1-[(4-methylphenyl)methyl]-1H-1,3-benzodiazole

D011-4586 Screening compound: 5,6-dimethyl-1-[(4-methylphenyl)methyl]-1H-1,3-benzodiazole
D011-4586 Screening compound: 5,6-dimethyl-1-[(4-methylphenyl)methyl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-4586
5,6-dimethyl-1-[(4-methylphenyl)methyl]-1H-1,3-benzodiazole

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

D011-4586

Molecular Formula

C17H18N2 (C17 H18 N2)

Compound Name

5,6-dimethyl-1-[(4-methylphenyl)methyl]-1H-1,3-benzodiazole

IUPAC name

56-dimethyl-1-[(4-methylphenyl)methyl]-1H-13-benzodiazole

SMILES

Cc1ccc(Cn2c(cc(C)c(C)c3)c3nc2)cc1

InChI

InChI=1S/C17H18N2/c1-12-4-6-15(7-5-12)10-19-11-18-16-8-13(2)14(3)9-17(16)19/h4-9,11H,10H2,1-3H3

InChI Key

PRIOFQYYSHATGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04217361

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

250.34

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.310

Distribution Coefficient, logD

4.303

Water Solubility, LogSw

-4.32

Polar Surface Area

10.423

Acid Dissociation Constant (pKa)

22.97

Base Dissociation Constant (pKb)

5.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

D011-4586 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CORONAVIRUS Library (20774 compounds)

Therapeutical Diversity Annotated Library (7563 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
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D011-4586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-4586?
Check Price and Availability of D011-4586, 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 D011-4586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-4586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-4586
  • 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 D011-4586 available by request