S214-0036 Screening compound: (3-fluorophenyl)[(3R,4R)-4-hydroxy-4-methyl-3-(1-pyrrolidinyl)tetrahydro-1(2H)-pyridinyl]methanone

S214-0036 Screening compound: (3-fluorophenyl)[(3R,4R)-4-hydroxy-4-methyl-3-(1-pyrrolidinyl)tetrahydro-1(2H)-pyridinyl]methanone
S214-0036 Screening compound: (3-fluorophenyl)[(3R,4R)-4-hydroxy-4-methyl-3-(1-pyrrolidinyl)tetrahydro-1(2H)-pyridinyl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S214-0036
(3-fluorophenyl)[(3R,4R)-4-hydroxy-4-methyl-3-(1-pyrrolidinyl)tetrahydro-1(2H)-pyridinyl]methanone

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

S214-0036

Molecular Formula

C17H23FN2O2 (C17 H23 FN2 O2)

Compound Name

(3-fluorophenyl)[(3R,4R)-4-hydroxy-4-methyl-3-(1-pyrrolidinyl)tetrahydro-1(2H)-pyridinyl]methanone

IUPAC name

n/a

SMILES

C[C@](CCN(C1)C(c2cccc(F)c2)=O)([C@H]1N1CCCC1)O

InChI

InChI=1S/C17H23FN2O2/c1-17(22)7-10-20(12-15(17)19-8-2-3-9-19)16(21)13-5-4-6-14(18)11-13/h4-6,11,15,22H,2-3,7-10,12H2,1H3/t15-,17-/m0/s1

InChI Key

RGMVBWYIXWXFTH-RDJZCZTQSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.38

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

1.438

Distribution Coefficient, logD

0.739

Water Solubility, LogSw

-1.68

Polar Surface Area

35.070

Acid Dissociation Constant (pKa)

15.25

Base Dissociation Constant (pKb)

8.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

58.80

S214-0036 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 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
  • Cyclic compounds
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
  • Cancer
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S214-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S214-0036?
Check Price and Availability of S214-0036, 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 S214-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S214-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S214-0036
  • 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 S214-0036 available by request