S618-1979 Screening compound: N-{[(3S,4R)-3-(dimethylamino)-1-(propylsulfonyl)hexahydro-4-pyridinyl]methyl}-N'-methylurea

S618-1979 Screening compound: N-{[(3S,4R)-3-(dimethylamino)-1-(propylsulfonyl)hexahydro-4-pyridinyl]methyl}-N'-methylurea
S618-1979 Screening compound: N-{[(3S,4R)-3-(dimethylamino)-1-(propylsulfonyl)hexahydro-4-pyridinyl]methyl}-N'-methylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound S618-1979
N-{[(3S,4R)-3-(dimethylamino)-1-(propylsulfonyl)hexahydro-4-pyridinyl]methyl}-N'-methylurea

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

S618-1979

Molecular Formula

C13H28N4O3S (C13 H28 N4 O3 S)

Compound Name

N-{[(3S,4R)-3-(dimethylamino)-1-(propylsulfonyl)hexahydro-4-pyridinyl]methyl}-N'-methylurea

IUPAC name

1-{[(3S4R)-3-(dimethylamino)-1-(propane-1-sulfonyl)piperidin-4-yl]methyl}-3-methylurea

SMILES

CCCS(N(CC[C@H]1CNC(NC)=O)C[C@@H]1N(C)C)(=O)=O

InChI

InChI=1S/C13H28N4O3S/c1-5-8-21(19,20)17-7-6-11(9-15-13(18)14-2)12(10-17)16(3)4/h11-12H,5-10H2,1-4H3,(H2,14,15,18)/t11-,12+/m1/s1

InChI Key

QKINZUIISIOKLV-NEPJUHHUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.497

Distribution Coefficient, logD

-0.612

Water Solubility, LogSw

-1.50

Polar Surface Area

69.329

Acid Dissociation Constant (pKa)

15.45

Base Dissociation Constant (pKb)

6.88

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

92.31

S618-1979 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S618-1979 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S618-1979?
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What is the minimum amount of S618-1979 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S618-1979
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S618-1979
  • 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 S618-1979 available by request