Y080-0442 Screening compound: 1-[(2-fluorophenyl)methyl]-2-[(1E)-2-phenylethenyl]-1H-1,3-benzodiazole

Y080-0442 Screening compound: 1-[(2-fluorophenyl)methyl]-2-[(1E)-2-phenylethenyl]-1H-1,3-benzodiazole
Y080-0442 Screening compound: 1-[(2-fluorophenyl)methyl]-2-[(1E)-2-phenylethenyl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound Y080-0442
1-[(2-fluorophenyl)methyl]-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

Y080-0442

Molecular Formula

C22H17FN2 (C22 H17 FN2)

Compound Name

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

IUPAC name

1-[(2-fluorophenyl)methyl]-2-[(1E)-2-phenylethenyl]-1H-13-benzodiazole

SMILES

Fc1c(Cn2c(cccc3)c3nc2/C=C/c2ccccc2)cccc1

InChI

InChI=1S/C22H17FN2/c23-19-11-5-4-10-18(19)16-25-21-13-7-6-12-20(21)24-22(25)15-14-17-8-2-1-3-9-17/h1-15H,16H2

InChI Key

HCPHTMZFRXAGFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04214324

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.39

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.930

Distribution Coefficient, logD

5.930

Water Solubility, LogSw

-6.26

Polar Surface Area

10.872

Acid Dissociation Constant (pKa)

21.80

Base Dissociation Constant (pKb)

2.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

Y080-0442 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 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 Y080-0442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y080-0442?
Check Price and Availability of Y080-0442, 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 Y080-0442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y080-0442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y080-0442
  • 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 Y080-0442 available by request