S618-1494 Screening compound: N-{[(3S,4R)-3-(dimethylamino)-1-(2-thienylmethyl)hexahydro-4-pyridinyl]methyl}-2-methoxyacetamide

S618-1494 Screening compound: N-{[(3S,4R)-3-(dimethylamino)-1-(2-thienylmethyl)hexahydro-4-pyridinyl]methyl}-2-methoxyacetamide
S618-1494 Screening compound: N-{[(3S,4R)-3-(dimethylamino)-1-(2-thienylmethyl)hexahydro-4-pyridinyl]methyl}-2-methoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S618-1494
N-{[(3S,4R)-3-(dimethylamino)-1-(2-thienylmethyl)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

S618-1494

Molecular Formula

C16H27N3O2S (C16 H27 N3 O2 S)

Compound Name

N-{[(3S,4R)-3-(dimethylamino)-1-(2-thienylmethyl)hexahydro-4-pyridinyl]methyl}-2-methoxyacetamide

IUPAC name

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

SMILES

CN(C)[C@@H]1[C@H](CNC(COC)=O)CCN(Cc2cccs2)C1

InChI

InChI=1S/C16H27N3O2S/c1-18(2)15-11-19(10-14-5-4-8-22-14)7-6-13(15)9-17-16(20)12-21-3/h4-5,8,13,15H,6-7,9-12H2,1-3H3,(H,17,20)/t13-,15+/m1/s1

InChI Key

PNBRTLYPJOJTJJ-HIFRSBDPSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.421

Distribution Coefficient, logD

-1.233

Water Solubility, LogSw

-2.19

Polar Surface Area

39.729

Acid Dissociation Constant (pKa)

14.85

Base Dissociation Constant (pKb)

9.04

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

68.80

S618-1494 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with S618-1494 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S618-1494?
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What is the minimum amount of S618-1494 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S618-1494
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S618-1494
  • 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 S618-1494 available by request