S070-0123 Screening compound: N-[3-(hydroxymethyl)-1-(2-methylbenzoyl)piperidin-4-yl]-2-methoxyacetamide

S070-0123 Screening compound: N-[3-(hydroxymethyl)-1-(2-methylbenzoyl)piperidin-4-yl]-2-methoxyacetamide
S070-0123 Screening compound: N-[3-(hydroxymethyl)-1-(2-methylbenzoyl)piperidin-4-yl]-2-methoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S070-0123
N-[3-(hydroxymethyl)-1-(2-methylbenzoyl)piperidin-4-yl]-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

S070-0123

Molecular Formula

C17H24N2O4 (C17 H24 N2 O4)

Compound Name

N-[3-(hydroxymethyl)-1-(2-methylbenzoyl)piperidin-4-yl]-2-methoxyacetamide

IUPAC name

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

SMILES

Cc(cccc1)c1C(N(CC1)C[C@@H](CO)[C@H]1NC(COC)=O)=O

InChI

InChI=1S/C17H24N2O4/c1-12-5-3-4-6-14(12)17(22)19-8-7-15(13(9-19)10-20)18-16(21)11-23-2/h3-6,13,15,20H,7-11H2,1-2H3,(H,18,21)/t13-,15+/m0/s1

InChI Key

YXZMLSYTUNVPED-DZGCQCFKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.281

Distribution Coefficient, logD

0.281

Water Solubility, LogSw

-2.04

Polar Surface Area

66.754

Acid Dissociation Constant (pKa)

16.08

Base Dissociation Constant (pKb)

1.15

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.94

S070-0123 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S070-0123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S070-0123?
Check Price and Availability of S070-0123, 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 S070-0123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S070-0123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S070-0123
  • 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 S070-0123 available by request