S562-0150 Screening compound: 5-methyl-N-[(7-oxoazepan-2-yl)methyl]pyrazine-2-carboxamide

S562-0150 Screening compound: 5-methyl-N-[(7-oxoazepan-2-yl)methyl]pyrazine-2-carboxamide
S562-0150 Screening compound: 5-methyl-N-[(7-oxoazepan-2-yl)methyl]pyrazine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S562-0150
5-methyl-N-[(7-oxoazepan-2-yl)methyl]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

S562-0150

Molecular Formula

C13H18N4O2 (C13 H18 N4 O2)

Compound Name

5-methyl-N-[(7-oxoazepan-2-yl)methyl]pyrazine-2-carboxamide

IUPAC name

5-methyl-N-[(7-oxoazepan-2-yl)methyl]pyrazine-2-carboxamide

SMILES

Cc(nc1)cnc1C(NCC(CCCC1)NC1=O)=O

InChI

InChI=1S/C13H18N4O2/c1-9-6-15-11(8-14-9)13(19)16-7-10-4-2-3-5-12(18)17-10/h6,8,10H,2-5,7H2,1H3,(H,16,19)(H,17,18)/t10-/m1/s1

InChI Key

MAEIUYVGZMRWBZ-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD29014757

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

262.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.038

Distribution Coefficient, logD

-0.038

Water Solubility, LogSw

-1.36

Polar Surface Area

68.816

Acid Dissociation Constant (pKa)

12.96

Base Dissociation Constant (pKb)

0.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.80

S562-0150 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S562-0150 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S562-0150?
Check Price and Availability of S562-0150, 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 S562-0150 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S562-0150
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S562-0150
  • 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 S562-0150 available by request