Y080-0178 Screening compound: 1-propyl-2,3-dihydro-1H-1,3-benzodiazol-2-one

Y080-0178 Screening compound: 1-propyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
Y080-0178 Screening compound: 1-propyl-2,3-dihydro-1H-1,3-benzodiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y080-0178
1-propyl-2,3-dihydro-1H-1,3-benzodiazol-2-one

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

Y080-0178

Molecular Formula

C10H12N2O (C10 H12 N2 O)

Compound Name

1-propyl-2,3-dihydro-1H-1,3-benzodiazol-2-one

IUPAC name

1-propyl-23-dihydro-1H-13-benzodiazol-2-one

SMILES

CCCN(c(cccc1)c1N1)C1=O

InChI

InChI=1S/C10H12N2O/c1-2-7-12-9-6-4-3-5-8(9)11-10(12)13/h3-6H,2,7H2,1H3,(H,11,13)

InChI Key

YNFLIDHXMNKSQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02707887

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

176.22

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

2.386

Distribution Coefficient, logD

2.386

Water Solubility, LogSw

-2.82

Polar Surface Area

27.312

Acid Dissociation Constant (pKa)

13.55

Base Dissociation Constant (pKb)

-0.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

Y080-0178 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Eye
Structure:
  • Pool
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y080-0178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y080-0178?
Check Price and Availability of Y080-0178, 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 Y080-0178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y080-0178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y080-0178
  • 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 Y080-0178 available by request