S617-0761 Screening compound: N~1~-[(3S,4S)-1-(1-ethylpropyl)-4-(hydroxymethyl)hexahydro-3-pyridinyl]-2-methoxyacetamide

S617-0761 Screening compound: N~1~-[(3S,4S)-1-(1-ethylpropyl)-4-(hydroxymethyl)hexahydro-3-pyridinyl]-2-methoxyacetamide
S617-0761 Screening compound: N~1~-[(3S,4S)-1-(1-ethylpropyl)-4-(hydroxymethyl)hexahydro-3-pyridinyl]-2-methoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S617-0761
N~1~-[(3S,4S)-1-(1-ethylpropyl)-4-(hydroxymethyl)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

S617-0761

Molecular Formula

C14H28N2O3 (C14 H28 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

CCC(CC)N(CC[C@H]1CO)C[C@@H]1NC(COC)=O

InChI

InChI=1S/C14H28N2O3/c1-4-12(5-2)16-7-6-11(9-17)13(8-16)15-14(18)10-19-3/h11-13,17H,4-10H2,1-3H3,(H,15,18)/t11-,13-/m0/s1

InChI Key

LNGITNOEACFAHK-AAEUAGOBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

272.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.484

Distribution Coefficient, logD

-1.291

Water Solubility, LogSw

-0.87

Polar Surface Area

53.331

Acid Dissociation Constant (pKa)

15.08

Base Dissociation Constant (pKb)

9.17

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

92.86

S617-0761 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S617-0761 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S617-0761?
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What is the minimum amount of S617-0761 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S617-0761
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S617-0761
  • 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 S617-0761 available by request