S760-0061 Screening compound: (2S,3R)-2-(methoxymethyl)-6-oxo-N~3~-[3-(trifluoromethyl)benzyl]hexahydro-3-pyridinecarboxamide

S760-0061 Screening compound: (2S,3R)-2-(methoxymethyl)-6-oxo-N~3~-[3-(trifluoromethyl)benzyl]hexahydro-3-pyridinecarboxamide
S760-0061 Screening compound: (2S,3R)-2-(methoxymethyl)-6-oxo-N~3~-[3-(trifluoromethyl)benzyl]hexahydro-3-pyridinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S760-0061
(2S,3R)-2-(methoxymethyl)-6-oxo-N~3~-[3-(trifluoromethyl)benzyl]hexahydro-3-pyridinecarboxamide

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

S760-0061

Molecular Formula

C16H19F3N2O3 (C16 H19 F3 N2 O3)

Compound Name

(2S,3R)-2-(methoxymethyl)-6-oxo-N~3~-[3-(trifluoromethyl)benzyl]hexahydro-3-pyridinecarboxamide

IUPAC name

(2S3R)-2-(methoxymethyl)-6-oxo-N-{[3-(trifluoromethyl)phenyl]methyl}piperidine-3-carboxamide

SMILES

COC[C@@H]([C@H](CC1)C(NCc2cccc(C(F)(F)F)c2)=O)NC1=O

InChI

InChI=1S/C16H19F3N2O3/c1-24-9-13-12(5-6-14(22)21-13)15(23)20-8-10-3-2-4-11(7-10)16(17,18)19/h2-4,7,12-13H,5-6,8-9H2,1H3,(H,20,23)(H,21,22)/t12-,13-/m0/s1

InChI Key

JQIDFAYAQNMAJU-STQMWFEESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.185

Distribution Coefficient, logD

1.185

Water Solubility, LogSw

-2.50

Polar Surface Area

58.986

Acid Dissociation Constant (pKa)

12.29

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

S760-0061 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S760-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S760-0061?
Check Price and Availability of S760-0061, 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 S760-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S760-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S760-0061
  • 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 S760-0061 available by request