S968-0257 Screening compound: 2-methyl-N-[6-(3-methylpyridine-2-carbonyl)-6-azaspiro[2.5]octan-1-yl]propanamide

S968-0257 Screening compound: 2-methyl-N-[6-(3-methylpyridine-2-carbonyl)-6-azaspiro[2.5]octan-1-yl]propanamide
S968-0257 Screening compound: 2-methyl-N-[6-(3-methylpyridine-2-carbonyl)-6-azaspiro[2.5]octan-1-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S968-0257
2-methyl-N-[6-(3-methylpyridine-2-carbonyl)-6-azaspiro[2.5]octan-1-yl]propanamide

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

S968-0257

Molecular Formula

C18H25N3O2 (C18 H25 N3 O2)

Compound Name

2-methyl-N-[6-(3-methylpyridine-2-carbonyl)-6-azaspiro[2.5]octan-1-yl]propanamide

IUPAC name

2-methyl-N-[6-(3-methylpyridine-2-carbonyl)-6-azaspiro[2.5]octan-1-yl]propanamide

SMILES

CC(C)C(NC(C1)C1(CC1)CCN1C(c1ncccc1C)=O)=O

InChI

InChI=1S/C18H25N3O2/c1-12(2)16(22)20-14-11-18(14)6-9-21(10-7-18)17(23)15-13(3)5-4-8-19-15/h4-5,8,12,14H,6-7,9-11H2,1-3H3,(H,20,22)/t14-/m1/s1

InChI Key

GMUVPNSXAKPIIS-CQSZACIVSA-N

MDL Number (MFCD)

MFCD32230975

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.434

Distribution Coefficient, logD

1.434

Water Solubility, LogSw

-1.78

Polar Surface Area

51.565

Acid Dissociation Constant (pKa)

13.07

Base Dissociation Constant (pKb)

1.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.11

S968-0257 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS BBB Library (22607 compounds)

Ion Channels Focused Library (26372 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S968-0257 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S968-0257?
Check Price and Availability of S968-0257, 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 S968-0257 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S968-0257
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S968-0257
  • 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 S968-0257 available by request