S214-0243 Screening compound: (3R,4R)-1-(2,3-DIFLUOROBENZYL)-4-METHYL-3-(1-PYRROLIDINYL)HEXAHYDRO-4-PYRIDINOL

S214-0243 Screening compound: (3R,4R)-1-(2,3-DIFLUOROBENZYL)-4-METHYL-3-(1-PYRROLIDINYL)HEXAHYDRO-4-PYRIDINOL
S214-0243 Screening compound: (3R,4R)-1-(2,3-DIFLUOROBENZYL)-4-METHYL-3-(1-PYRROLIDINYL)HEXAHYDRO-4-PYRIDINOL alternative view

Chemical Structure Depiction of ChemDiv screening compound S214-0243
(3R,4R)-1-(2,3-DIFLUOROBENZYL)-4-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

S214-0243

Molecular Formula

C17H24F2N2O (C17 H24 F2 N2 O)

Compound Name

(3R,4R)-1-(2,3-DIFLUOROBENZYL)-4-METHYL-3-(1-PYRROLIDINYL)HEXAHYDRO-4-PYRIDINOL

IUPAC name

n/a

SMILES

C[C@](CCN(Cc1cccc(F)c1F)C1)([C@H]1N1CCCC1)O

InChI

InChI=1S/C17H24F2N2O/c1-17(22)7-10-20(12-15(17)21-8-2-3-9-21)11-13-5-4-6-14(18)16(13)19/h4-6,15,22H,2-3,7-12H2,1H3/t15-,17-/m0/s1

InChI Key

GZENNRMUVIJHNG-RDJZCZTQSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.518

Distribution Coefficient, logD

1.045

Water Solubility, LogSw

-1.85

Polar Surface Area

22.154

Acid Dissociation Constant (pKa)

15.25

Base Dissociation Constant (pKb)

8.86

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

64.70

S214-0243 in Drug Discovery

Included in Screening Libraries

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

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Soluble Diversity Library (15920 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:
  • Nervous system
  • Cancer
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S214-0243 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S214-0243?
Check Price and Availability of S214-0243, 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 S214-0243 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S214-0243
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S214-0243
  • 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 S214-0243 available by request