5786-1322 Screening compound: {1-[(4-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}methanol

5786-1322 Screening compound: {1-[(4-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}methanol
5786-1322 Screening compound: {1-[(4-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5786-1322
{1-[(4-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}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

5786-1322

Molecular Formula

C16H16N2O (C16 H16 N2 O)

Compound Name

{1-[(4-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}methanol

IUPAC name

{1-[(4-methylphenyl)methyl]-1H-13-benzodiazol-2-yl}methanol

SMILES

Cc1ccc(Cn2c(cccc3)c3nc2CO)cc1

InChI

InChI=1S/C16H16N2O/c1-12-6-8-13(9-7-12)10-18-15-5-3-2-4-14(15)17-16(18)11-19/h2-9,19H,10-11H2,1H3

InChI Key

HGWWVTNFOCMXDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02858822

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

252.32

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.198

Distribution Coefficient, logD

3.194

Water Solubility, LogSw

-2.75

Polar Surface Area

28.258

Acid Dissociation Constant (pKa)

14.71

Base Dissociation Constant (pKb)

5.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

5786-1322 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Akt-Targeted Library (14764 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5786-1322 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5786-1322?
Check Price and Availability of 5786-1322, 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 5786-1322 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5786-1322
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5786-1322
  • 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 5786-1322 available by request