5786-2088 Screening compound: {1-[(4-propoxyphenyl)methyl]-1H-1,3-benzodiazol-2-yl}methanol

5786-2088 Screening compound: {1-[(4-propoxyphenyl)methyl]-1H-1,3-benzodiazol-2-yl}methanol
5786-2088 Screening compound: {1-[(4-propoxyphenyl)methyl]-1H-1,3-benzodiazol-2-yl}methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5786-2088
{1-[(4-propoxyphenyl)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

5786-2088

Molecular Formula

C18H20N2O2 (C18 H20 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

CCCOc1ccc(Cn2c(cccc3)c3nc2CO)cc1

InChI

InChI=1S/C18H20N2O2/c1-2-11-22-15-9-7-14(8-10-15)12-20-17-6-4-3-5-16(17)19-18(20)13-21/h3-10,21H,2,11-13H2,1H3

InChI Key

PRNLEFMLWMJXPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03669738

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.734

Distribution Coefficient, logD

3.730

Water Solubility, LogSw

-3.75

Polar Surface Area

35.676

Acid Dissociation Constant (pKa)

14.71

Base Dissociation Constant (pKb)

5.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

5786-2088 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

CNS BBB Library (22607 compounds)

Cardiovascular Library (22201 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5786-2088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5786-2088?
Check Price and Availability of 5786-2088, 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 5786-2088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5786-2088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5786-2088
  • 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 5786-2088 available by request