8013-6072 Screening compound: 2-(4-methoxyphenyl)-1-(2-phenylethyl)-1H-1,3-benzodiazole

8013-6072 Screening compound: 2-(4-methoxyphenyl)-1-(2-phenylethyl)-1H-1,3-benzodiazole
8013-6072 Screening compound: 2-(4-methoxyphenyl)-1-(2-phenylethyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-6072
2-(4-methoxyphenyl)-1-(2-phenylethyl)-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

8013-6072

Molecular Formula

C22H20N2O (C22 H20 N2 O)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-c1nc(cccc2)c2n1CCc1ccccc1

InChI

InChI=1S/C22H20N2O/c1-25-19-13-11-18(12-14-19)22-23-20-9-5-6-10-21(20)24(22)16-15-17-7-3-2-4-8-17/h2-14H,15-16H2,1H3

InChI Key

AKABFRHXPUPGSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02630677

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.41

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.574

Distribution Coefficient, logD

5.574

Water Solubility, LogSw

-5.65

Polar Surface Area

17.418

Acid Dissociation Constant (pKa)

22.27

Base Dissociation Constant (pKb)

3.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

8013-6072 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Agro:
  • Agro
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8013-6072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-6072?
Check Price and Availability of 8013-6072, 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 8013-6072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-6072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-6072
  • 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 8013-6072 available by request