P774-0409 Screening compound: 3-(azepan-1-yl)-1-cyclopropyl-1,2-dihydropyrazin-2-one

P774-0409 Screening compound: 3-(azepan-1-yl)-1-cyclopropyl-1,2-dihydropyrazin-2-one
P774-0409 Screening compound: 3-(azepan-1-yl)-1-cyclopropyl-1,2-dihydropyrazin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P774-0409
3-(azepan-1-yl)-1-cyclopropyl-1,2-dihydropyrazin-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

P774-0409

Molecular Formula

C13H19N3O (C13 H19 N3 O)

Compound Name

3-(azepan-1-yl)-1-cyclopropyl-1,2-dihydropyrazin-2-one

IUPAC name

3-(azepan-1-yl)-1-cyclopropyl-12-dihydropyrazin-2-one

SMILES

O=C1N(C2CC2)C=CN=C1N1CCCCCC1

InChI

InChI=1S/C13H19N3O/c17-13-12(15-8-3-1-2-4-9-15)14-7-10-16(13)11-5-6-11/h7,10-11H,1-6,8-9H2

InChI Key

ZOYTYNBVOXJQGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27614835

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

233.31

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.444

Distribution Coefficient, logD

1.444

Water Solubility, LogSw

-1.46

Polar Surface Area

26.760

Acid Dissociation Constant (pKa)

27.96

Base Dissociation Constant (pKb)

4.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

69.20

P774-0409 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Fragments Library (11262 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with P774-0409 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P774-0409?
Check Price and Availability of P774-0409, 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 P774-0409 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P774-0409
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P774-0409
  • 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 P774-0409 available by request