S618-1471 Screening compound: N~1~-{[(3S,4R)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(dimethylamino)hexahydro-4-pyridinyl]methyl}-2-methoxyacetamide

S618-1471 Screening compound: N~1~-{[(3S,4R)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(dimethylamino)hexahydro-4-pyridinyl]methyl}-2-methoxyacetamide
S618-1471 Screening compound: N~1~-{[(3S,4R)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(dimethylamino)hexahydro-4-pyridinyl]methyl}-2-methoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S618-1471
N~1~-{[(3S,4R)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(dimethylamino)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

S618-1471

Molecular Formula

C20H31N3O3 (C20 H31 N3 O3)

Compound Name

N~1~-{[(3S,4R)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(dimethylamino)hexahydro-4-pyridinyl]methyl}-2-methoxyacetamide

IUPAC name

N-{[(3S4R)-1-[(23-dihydro-1-benzofuran-5-yl)methyl]-3-(dimethylamino)piperidin-4-yl]methyl}-2-methoxyacetamide

SMILES

CN(C)[C@@H]1[C@H](CNC(COC)=O)CCN(Cc(cc2)cc3c2OCC3)C1

InChI

InChI=1S/C20H31N3O3/c1-22(2)18-13-23(8-6-17(18)11-21-20(24)14-25-3)12-15-4-5-19-16(10-15)7-9-26-19/h4-5,10,17-18H,6-9,11-14H2,1-3H3,(H,21,24)/t17-,18-/m0/s1

InChI Key

PMCBMALHUBKWDI-ROUUACIJSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.591

Distribution Coefficient, logD

-1.539

Water Solubility, LogSw

-2.18

Polar Surface Area

46.949

Acid Dissociation Constant (pKa)

14.85

Base Dissociation Constant (pKb)

9.53

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

65.00

S618-1471 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with S618-1471 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S618-1471?
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What is the minimum amount of S618-1471 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S618-1471
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S618-1471
  • 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 S618-1471 available by request