S070-0101 Screening compound: N~1~-{(3S,4R)-3-(hydroxymethyl)-1-[2-(4-methylphenoxy)acetyl]hexahydro-4-pyridinyl}-2-methoxyacetamide

S070-0101 Screening compound: N~1~-{(3S,4R)-3-(hydroxymethyl)-1-[2-(4-methylphenoxy)acetyl]hexahydro-4-pyridinyl}-2-methoxyacetamide
S070-0101 Screening compound: N~1~-{(3S,4R)-3-(hydroxymethyl)-1-[2-(4-methylphenoxy)acetyl]hexahydro-4-pyridinyl}-2-methoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S070-0101
N~1~-{(3S,4R)-3-(hydroxymethyl)-1-[2-(4-methylphenoxy)acetyl]hexahydro-4-pyridinyl}-2-methoxyacetamide

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

S070-0101

Molecular Formula

C18H26N2O5 (C18 H26 N2 O5)

Compound Name

N~1~-{(3S,4R)-3-(hydroxymethyl)-1-[2-(4-methylphenoxy)acetyl]hexahydro-4-pyridinyl}-2-methoxyacetamide

IUPAC name

N-[(3S4R)-3-(hydroxymethyl)-1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]-2-methoxyacetamide

SMILES

Cc(cc1)ccc1OCC(N(CC1)C[C@@H](CO)[C@H]1NC(COC)=O)=O

InChI

InChI=1S/C18H26N2O5/c1-13-3-5-15(6-4-13)25-12-18(23)20-8-7-16(14(9-20)10-21)19-17(22)11-24-2/h3-6,14,16,21H,7-12H2,1-2H3,(H,19,22)/t14-,16+/m0/s1

InChI Key

IDQUJXXVPLHGTL-GOEBONIOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.126

Distribution Coefficient, logD

0.126

Water Solubility, LogSw

-1.57

Polar Surface Area

73.726

Acid Dissociation Constant (pKa)

16.08

Base Dissociation Constant (pKb)

5.13

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.56

S070-0101 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S070-0101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S070-0101?
Check Price and Availability of S070-0101, 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 S070-0101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S070-0101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S070-0101
  • 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 S070-0101 available by request