S617-0820 Screening compound: [(3S,4S)-3-(dimethylamino)-1-tetrahydro-2H-pyran-4-ylhexahydro-4-pyridinyl]methanol

S617-0820 Screening compound: [(3S,4S)-3-(dimethylamino)-1-tetrahydro-2H-pyran-4-ylhexahydro-4-pyridinyl]methanol
S617-0820 Screening compound: [(3S,4S)-3-(dimethylamino)-1-tetrahydro-2H-pyran-4-ylhexahydro-4-pyridinyl]methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound S617-0820
[(3S,4S)-3-(dimethylamino)-1-tetrahydro-2H-pyran-4-ylhexahydro-4-pyridinyl]methanol

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

S617-0820

Molecular Formula

C13H26N2O2 (C13 H26 N2 O2)

Compound Name

[(3S,4S)-3-(dimethylamino)-1-tetrahydro-2H-pyran-4-ylhexahydro-4-pyridinyl]methanol

IUPAC name

n/a

SMILES

CN(C)[C@@H](C1)[C@H](CO)CCN1C1CCOCC1

InChI

InChI=1S/C13H26N2O2/c1-14(2)13-9-15(6-3-11(13)10-16)12-4-7-17-8-5-12/h11-13,16H,3-10H2,1-2H3/t11-,13+/m1/s1

InChI Key

SCUIFVXKKHLGLL-YPMHNXCESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

242.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.037

Distribution Coefficient, logD

-1.954

Water Solubility, LogSw

0.51

Polar Surface Area

30.392

Acid Dissociation Constant (pKa)

15.98

Base Dissociation Constant (pKb)

9.39

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

100.00

S617-0820 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S617-0820 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S617-0820?
Check Price and Availability of S617-0820, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S617-0820 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S617-0820
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S617-0820
  • 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 S617-0820 available by request