8584-0100 Screening compound: 2-methyl-1-[(3-methylphenyl)methyl]-1H-1,3-benzodiazole

8584-0100 Screening compound: 2-methyl-1-[(3-methylphenyl)methyl]-1H-1,3-benzodiazole
8584-0100 Screening compound: 2-methyl-1-[(3-methylphenyl)methyl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8584-0100
2-methyl-1-[(3-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

8584-0100

Molecular Formula

C16H16N2 (C16 H16 N2)

Compound Name

2-methyl-1-[(3-methylphenyl)methyl]-1H-1,3-benzodiazole

IUPAC name

2-methyl-1-[(3-methylphenyl)methyl]-1H-13-benzodiazole

SMILES

Cc1nc(cccc2)c2n1Cc1cc(C)ccc1

InChI

InChI=1S/C16H16N2/c1-12-6-5-7-14(10-12)11-18-13(2)17-15-8-3-4-9-16(15)18/h3-10H,11H2,1-2H3

InChI Key

ZLCQLLJERCGVQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03714563

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

236.32

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

4.154

Distribution Coefficient, logD

4.139

Water Solubility, LogSw

-4.34

Polar Surface Area

10.944

Acid Dissociation Constant (pKa)

22.60

Base Dissociation Constant (pKb)

5.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

8584-0100 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

Anti-Aging Library (44940 compounds)

CORONAVIRUS Library (20774 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • Epigenetic
Targets:
  • Proteases
  • Kinases

References: we are preparing a list of scientific research reports with 8584-0100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8584-0100?
Check Price and Availability of 8584-0100, 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 8584-0100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8584-0100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8584-0100
  • 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 8584-0100 available by request