5786-1498 Screening compound: 1-(3-methylbutyl)-2-[(1E)-2-phenylethenyl]-1H-1,3-benzodiazole

5786-1498 Screening compound: 1-(3-methylbutyl)-2-[(1E)-2-phenylethenyl]-1H-1,3-benzodiazole
5786-1498 Screening compound: 1-(3-methylbutyl)-2-[(1E)-2-phenylethenyl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 5786-1498
1-(3-methylbutyl)-2-[(1E)-2-phenylethenyl]-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

5786-1498

Molecular Formula

C20H22N2 (C20 H22 N2)

Compound Name

1-(3-methylbutyl)-2-[(1E)-2-phenylethenyl]-1H-1,3-benzodiazole

IUPAC name

1-(3-methylbutyl)-2-[(1E)-2-phenylethenyl]-1H-13-benzodiazole

SMILES

CC(C)CCn1c(cccc2)c2nc1/C=C/c1ccccc1

InChI

InChI=1S/C20H22N2/c1-16(2)14-15-22-19-11-7-6-10-18(19)21-20(22)13-12-17-8-4-3-5-9-17/h3-13,16H,14-15H2,1-2H3

InChI Key

KADXTVYOLIZYFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02212663

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.41

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.785

Distribution Coefficient, logD

5.785

Water Solubility, LogSw

-5.85

Polar Surface Area

11.122

Acid Dissociation Constant (pKa)

23.10

Base Dissociation Constant (pKb)

2.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

5786-1498 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5786-1498 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5786-1498?
Check Price and Availability of 5786-1498, 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 5786-1498 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5786-1498
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5786-1498
  • 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 5786-1498 available by request