S618-1491 Screening compound: N~1~-({(3S,4R)-3-(dimethylamino)-1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]hexahydro-4-pyridinyl}methyl)-2-methoxyacetamide

S618-1491 Screening compound: N~1~-({(3S,4R)-3-(dimethylamino)-1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]hexahydro-4-pyridinyl}methyl)-2-methoxyacetamide
S618-1491 Screening compound: N~1~-({(3S,4R)-3-(dimethylamino)-1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]hexahydro-4-pyridinyl}methyl)-2-methoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S618-1491
N~1~-({(3S,4R)-3-(dimethylamino)-1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]hexahydro-4-pyridinyl}methyl)-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

S618-1491

Molecular Formula

C18H33N5O2 (C18 H33 N5 O2)

Compound Name

N~1~-({(3S,4R)-3-(dimethylamino)-1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]hexahydro-4-pyridinyl}methyl)-2-methoxyacetamide

IUPAC name

N-{[(3S4R)-3-(dimethylamino)-1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]methyl}-2-methoxyacetamide

SMILES

CCn1nc(C)c(CN(CC[C@H]2CNC(COC)=O)C[C@@H]2N(C)C)c1

InChI

InChI=1S/C18H33N5O2/c1-6-23-11-16(14(2)20-23)10-22-8-7-15(17(12-22)21(3)4)9-19-18(24)13-25-5/h11,15,17H,6-10,12-13H2,1-5H3,(H,19,24)/t15-,17-/m0/s1

InChI Key

IDDYDOWWNNUABA-RDJZCZTQSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.589

Distribution Coefficient, logD

-6.377

Water Solubility, LogSw

-0.68

Polar Surface Area

53.566

Acid Dissociation Constant (pKa)

14.85

Base Dissociation Constant (pKb)

13.19

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

77.78

S618-1491 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S618-1491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S618-1491?
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What is the minimum amount of S618-1491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S618-1491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S618-1491
  • 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 S618-1491 available by request