S617-0235 Screening compound: N~1~-[(3S,4S)-4-(hydroxymethyl)-1-(2-quinolylcarbonyl)hexahydro-3-pyridinyl]-2-methoxyacetamide

S617-0235 Screening compound: N~1~-[(3S,4S)-4-(hydroxymethyl)-1-(2-quinolylcarbonyl)hexahydro-3-pyridinyl]-2-methoxyacetamide
S617-0235 Screening compound: N~1~-[(3S,4S)-4-(hydroxymethyl)-1-(2-quinolylcarbonyl)hexahydro-3-pyridinyl]-2-methoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S617-0235
N~1~-[(3S,4S)-4-(hydroxymethyl)-1-(2-quinolylcarbonyl)hexahydro-3-pyridinyl]-2-methoxyacetamide

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

S617-0235

Molecular Formula

C19H23N3O4 (C19 H23 N3 O4)

Compound Name

N~1~-[(3S,4S)-4-(hydroxymethyl)-1-(2-quinolylcarbonyl)hexahydro-3-pyridinyl]-2-methoxyacetamide

IUPAC name

N-[(3S4S)-4-(hydroxymethyl)-1-(quinoline-2-carbonyl)piperidin-3-yl]-2-methoxyacetamide

SMILES

COCC(N[C@@H](C1)[C@H](CO)CCN1C(c1nc2ccccc2cc1)=O)=O

InChI

InChI=1S/C19H23N3O4/c1-26-12-18(24)21-17-10-22(9-8-14(17)11-23)19(25)16-7-6-13-4-2-3-5-15(13)20-16/h2-7,14,17,23H,8-12H2,1H3,(H,21,24)/t14-,17+/m1/s1

InChI Key

FRZKJXGVYJPGIZ-PBHICJAKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.631

Distribution Coefficient, logD

0.631

Water Solubility, LogSw

-2.11

Polar Surface Area

75.085

Acid Dissociation Constant (pKa)

15.67

Base Dissociation Constant (pKb)

0.70

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.11

S617-0235 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with S617-0235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S617-0235?
Check Price and Availability of S617-0235, 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 S617-0235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S617-0235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S617-0235
  • 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 S617-0235 available by request