S617-0882 Screening compound: N-[1-cycloheptyl-4-(hydroxymethyl)piperidin-3-yl]pyridine-3-carboxamide

S617-0882 Screening compound: N-[1-cycloheptyl-4-(hydroxymethyl)piperidin-3-yl]pyridine-3-carboxamide
S617-0882 Screening compound: N-[1-cycloheptyl-4-(hydroxymethyl)piperidin-3-yl]pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S617-0882
N-[1-cycloheptyl-4-(hydroxymethyl)piperidin-3-yl]pyridine-3-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

S617-0882

Molecular Formula

C19H29N3O2 (C19 H29 N3 O2)

Compound Name

N-[1-cycloheptyl-4-(hydroxymethyl)piperidin-3-yl]pyridine-3-carboxamide

IUPAC name

N-[(3S4S)-1-cycloheptyl-4-(hydroxymethyl)piperidin-3-yl]pyridine-3-carboxamide

SMILES

OC[C@H](CCN(C1)C2CCCCCC2)[C@H]1NC(c1cnccc1)=O

InChI

InChI=1S/C19H29N3O2/c23-14-16-9-11-22(17-7-3-1-2-4-8-17)13-18(16)21-19(24)15-6-5-10-20-12-15/h5-6,10,12,16-18,23H,1-4,7-9,11,13-14H2,(H,21,24)/t16-,18-/m0/s1

InChI Key

WITSHDKCUVALSL-WMZOPIPTSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.737

Distribution Coefficient, logD

1.258

Water Solubility, LogSw

-1.41

Polar Surface Area

54.758

Acid Dissociation Constant (pKa)

13.17

Base Dissociation Constant (pKb)

7.70

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

68.42

S617-0882 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cardiovascular
Structure:
  • Cyclic compounds
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S617-0882 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S617-0882?
Check Price and Availability of S617-0882, 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 S617-0882 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S617-0882
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S617-0882
  • 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 S617-0882 available by request