Y080-0606 Screening compound: 2-[2-(2-fluorophenyl)-1H-1,3-benzodiazol-1-yl]-N-(propan-2-yl)acetamide

Y080-0606 Screening compound: 2-[2-(2-fluorophenyl)-1H-1,3-benzodiazol-1-yl]-N-(propan-2-yl)acetamide
Y080-0606 Screening compound: 2-[2-(2-fluorophenyl)-1H-1,3-benzodiazol-1-yl]-N-(propan-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y080-0606
2-[2-(2-fluorophenyl)-1H-1,3-benzodiazol-1-yl]-N-(propan-2-yl)acetamide

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

Y080-0606

Molecular Formula

C18H18FN3O (C18 H18 FN3 O)

Compound Name

2-[2-(2-fluorophenyl)-1H-1,3-benzodiazol-1-yl]-N-(propan-2-yl)acetamide

IUPAC name

2-[2-(2-fluorophenyl)-1H-13-benzodiazol-1-yl]-N-(propan-2-yl)acetamide

SMILES

CC(C)NC(Cn1c(-c(cccc2)c2F)nc2c1cccc2)=O

InChI

InChI=1S/C18H18FN3O/c1-12(2)20-17(23)11-22-16-10-6-5-9-15(16)21-18(22)13-7-3-4-8-14(13)19/h3-10,12H,11H2,1-2H3,(H,20,23)

InChI Key

JQUMQFZYFYKQHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08834351

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.36

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.453

Distribution Coefficient, logD

3.452

Water Solubility, LogSw

-3.83

Polar Surface Area

33.613

Acid Dissociation Constant (pKa)

15.28

Base Dissociation Constant (pKb)

4.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

Y080-0606 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Cardiovascular Library (22201 compounds)

SmartTM Library (51161 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
  • Digestive system
  • Nervous system
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with Y080-0606 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y080-0606?
Check Price and Availability of Y080-0606, 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 Y080-0606 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y080-0606
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y080-0606
  • 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 Y080-0606 available by request