S214-0163 Screening compound: (3R,4R)-4-methyl-1-[(5-methyl-2-furyl)methyl]-3-(1-pyrrolidinyl)hexahydro-4-pyridinol

S214-0163 Screening compound: (3R,4R)-4-methyl-1-[(5-methyl-2-furyl)methyl]-3-(1-pyrrolidinyl)hexahydro-4-pyridinol
S214-0163 Screening compound: (3R,4R)-4-methyl-1-[(5-methyl-2-furyl)methyl]-3-(1-pyrrolidinyl)hexahydro-4-pyridinol alternative view

Chemical Structure Depiction of ChemDiv screening compound S214-0163
(3R,4R)-4-methyl-1-[(5-methyl-2-furyl)methyl]-3-(1-pyrrolidinyl)hexahydro-4-pyridinol

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

S214-0163

Molecular Formula

C16H26N2O2 (C16 H26 N2 O2)

Compound Name

(3R,4R)-4-methyl-1-[(5-methyl-2-furyl)methyl]-3-(1-pyrrolidinyl)hexahydro-4-pyridinol

IUPAC name

(3R4R)-4-methyl-1-[(5-methylfuran-2-yl)methyl]-3-(pyrrolidin-1-yl)piperidin-4-ol

SMILES

C[C@](CCN(Cc1ccc(C)o1)C1)([C@H]1N1CCCC1)O

InChI

InChI=1S/C16H26N2O2/c1-13-5-6-14(20-13)11-17-10-7-16(2,19)15(12-17)18-8-3-4-9-18/h5-6,15,19H,3-4,7-12H2,1-2H3/t15-,16-/m0/s1

InChI Key

PPZMJKYGYHQAIE-HOTGVXAUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

278.39

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

1.784

Distribution Coefficient, logD

0.283

Water Solubility, LogSw

-1.73

Polar Surface Area

29.417

Acid Dissociation Constant (pKa)

15.25

Base Dissociation Constant (pKb)

8.89

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

75.00

S214-0163 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Antiviral
  • Infections
  • Immune system
  • Cancer
Targets:
  • Others
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S214-0163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S214-0163?
Check Price and Availability of S214-0163, 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 S214-0163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S214-0163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S214-0163
  • 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 S214-0163 available by request