1787-1104 Screening compound: 2-(4-methoxyphenyl)-1H-1,3-benzodiazole

1787-1104 Screening compound: 2-(4-methoxyphenyl)-1H-1,3-benzodiazole
1787-1104 Screening compound: 2-(4-methoxyphenyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 1787-1104
2-(4-methoxyphenyl)-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

1787-1104

Molecular Formula

C14H12N2O (C14 H12 N2 O)

Compound Name

2-(4-methoxyphenyl)-1H-1,3-benzodiazole

IUPAC name

2-(4-methoxyphenyl)-1H-13-benzodiazole

SMILES

COc(cc1)ccc1-c1nc(cccc2)c2[nH]1

InChI

InChI=1S/C14H12N2O/c1-17-11-8-6-10(7-9-11)14-15-12-4-2-3-5-13(12)16-14/h2-9H,1H3,(H,15,16)

InChI Key

PYRWEZBEXFMUHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00195122

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

224.26

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.502

Distribution Coefficient, logD

3.501

Water Solubility, LogSw

-3.58

Polar Surface Area

26.802

Acid Dissociation Constant (pKa)

11.59

Base Dissociation Constant (pKb)

5.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

1787-1104 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Cardiovascular Library (22201 compounds)

Frequent Hitters Library (7624 compounds)

GABA Library (7115 compounds)

Human Receptors Annotated Library (5376 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
  • Eye
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
  • Cardiovascular
Structure:
  • Pool
Targets:
  • GPCR
  • Ion Channels
  • Proteases
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 1787-1104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1787-1104?
Check Price and Availability of 1787-1104, 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 1787-1104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1787-1104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1787-1104
  • 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 1787-1104 available by request