E858-0022 Screening compound: N-(5-chloro-2-methylphenyl)-octahydro-1H-pyrido[1,2-a]pyrazine-2-carboxamide

E858-0022 Screening compound: N-(5-chloro-2-methylphenyl)-octahydro-1H-pyrido[1,2-a]pyrazine-2-carboxamide
E858-0022 Screening compound: N-(5-chloro-2-methylphenyl)-octahydro-1H-pyrido[1,2-a]pyrazine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E858-0022
N-(5-chloro-2-methylphenyl)-octahydro-1H-pyrido[1,2-a]pyrazine-2-carboxamide

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

E858-0022

Molecular Formula

C16H22ClN3O (C16 H22 ClN3 O)

Compound Name

N-(5-chloro-2-methylphenyl)-octahydro-1H-pyrido[1,2-a]pyrazine-2-carboxamide

IUPAC name

N-(5-chloro-2-methylphenyl)-octahydro-1H-pyrido[12-a]pyrazine-2-carboxamide

SMILES

Cc(ccc(Cl)c1)c1NC(N1CC(CCCC2)N2CC1)=O

InChI

InChI=1S/C16H22ClN3O/c1-12-5-6-13(17)10-15(12)18-16(21)20-9-8-19-7-3-2-4-14(19)11-20/h5-6,10,14H,2-4,7-9,11H2,1H3,(H,18,21)/t14-/m0/s1

InChI Key

RAAGTZUWXSWKDX-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14923520

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.82

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.007

Distribution Coefficient, logD

1.483

Water Solubility, LogSw

-3.48

Polar Surface Area

28.278

Acid Dissociation Constant (pKa)

11.91

Base Dissociation Constant (pKb)

8.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.30

E858-0022 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system
  • Nervous system
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E858-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E858-0022?
Check Price and Availability of E858-0022, 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 E858-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E858-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E858-0022
  • 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 E858-0022 available by request