S618-0848 Screening compound: N~1~-{[(3S,4R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-(dimethylamino)hexahydro-4-pyridinyl]methyl}acetamide

S618-0848 Screening compound: N~1~-{[(3S,4R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-(dimethylamino)hexahydro-4-pyridinyl]methyl}acetamide
S618-0848 Screening compound: N~1~-{[(3S,4R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-(dimethylamino)hexahydro-4-pyridinyl]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S618-0848
N~1~-{[(3S,4R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-(dimethylamino)hexahydro-4-pyridinyl]methyl}acetamide

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

S618-0848

Molecular Formula

C18H27N3O5S (C18 H27 N3 O5 S)

Compound Name

N~1~-{[(3S,4R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-(dimethylamino)hexahydro-4-pyridinyl]methyl}acetamide

IUPAC name

n/a

SMILES

CC(NC[C@H](CCN(C1)S(c(cc2)cc3c2OCCO3)(=O)=O)[C@H]1N(C)C)=O

InChI

InChI=1S/C18H27N3O5S/c1-13(22)19-11-14-6-7-21(12-16(14)20(2)3)27(23,24)15-4-5-17-18(10-15)26-9-8-25-17/h4-5,10,14,16H,6-9,11-12H2,1-3H3,(H,19,22)/t14-,16+/m1/s1

InChI Key

JYYNDVUZBWEIQE-ZBFHGGJFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.404

Distribution Coefficient, logD

-0.739

Water Solubility, LogSw

-2.23

Polar Surface Area

74.201

Acid Dissociation Constant (pKa)

15.05

Base Dissociation Constant (pKb)

7.46

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

61.10

S618-0848 in Drug Discovery

Included in Screening Libraries

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 S618-0848 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S618-0848?
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What is the minimum amount of S618-0848 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S618-0848
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S618-0848
  • 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 S618-0848 available by request