S620-1645 Screening compound: 2-(dimethylamino)-N~1~-[(3S,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-tetrahydro-2H-pyran-4-ylhexahydro-3-pyridinyl]acetamide

S620-1645 Screening compound: 2-(dimethylamino)-N~1~-[(3S,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-tetrahydro-2H-pyran-4-ylhexahydro-3-pyridinyl]acetamide
S620-1645 Screening compound: 2-(dimethylamino)-N~1~-[(3S,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-tetrahydro-2H-pyran-4-ylhexahydro-3-pyridinyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S620-1645
2-(dimethylamino)-N~1~-[(3S,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-tetrahydro-2H-pyran-4-ylhexahydro-3-pyridinyl]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

S620-1645

Molecular Formula

C17H30N6O2 (C17 H30 N6 O2)

Compound Name

2-(dimethylamino)-N~1~-[(3S,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-tetrahydro-2H-pyran-4-ylhexahydro-3-pyridinyl]acetamide

IUPAC name

2-(dimethylamino)-N-[(3S4S)-4-(3-methyl-1H-124-triazol-5-yl)-1-(oxan-4-yl)piperidin-3-yl]acetamide

SMILES

Cc1n[nH]c([C@H](CCN(C2)C3CCOCC3)[C@H]2NC(CN(C)C)=O)n1

InChI

InChI=1S/C17H30N6O2/c1-12-18-17(21-20-12)14-4-7-23(13-5-8-25-9-6-13)10-15(14)19-16(24)11-22(2)3/h13-15H,4-11H2,1-3H3,(H,19,24)(H,18,20,21)/t14-,15+/m1/s1

InChI Key

FYEHVRVSRFFUHR-CABCVRRESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.782

Distribution Coefficient, logD

-1.809

Water Solubility, LogSw

-1.37

Polar Surface Area

73.046

Acid Dissociation Constant (pKa)

10.37

Base Dissociation Constant (pKb)

8.38

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

82.35

S620-1645 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S620-1645 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S620-1645?
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What is the minimum amount of S620-1645 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S620-1645
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S620-1645
  • 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 S620-1645 available by request