S617-0160 Screening compound: N-[4-(hydroxymethyl)-1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperidin-3-yl]cyclopropanecarboxamide

S617-0160 Screening compound: N-[4-(hydroxymethyl)-1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperidin-3-yl]cyclopropanecarboxamide
S617-0160 Screening compound: N-[4-(hydroxymethyl)-1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperidin-3-yl]cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S617-0160
N-[4-(hydroxymethyl)-1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperidin-3-yl]cyclopropanecarboxamide

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

S617-0160

Molecular Formula

C21H28N2O4 (C21 H28 N2 O4)

Compound Name

N-[4-(hydroxymethyl)-1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperidin-3-yl]cyclopropanecarboxamide

IUPAC name

N-[(3S4S)-4-(hydroxymethyl)-1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperidin-3-yl]cyclopropanecarboxamide

SMILES

COc1ccc(C2(CC2)C(N(CC[C@H]2CO)C[C@@H]2NC(C2CC2)=O)=O)cc1

InChI

InChI=1S/C21H28N2O4/c1-27-17-6-4-16(5-7-17)21(9-10-21)20(26)23-11-8-15(13-24)18(12-23)22-19(25)14-2-3-14/h4-7,14-15,18,24H,2-3,8-13H2,1H3,(H,22,25)/t15-,18+/m1/s1

InChI Key

NVXLOMNNTKHGCC-QAPCUYQASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.459

Distribution Coefficient, logD

1.459

Water Solubility, LogSw

-1.85

Polar Surface Area

66.590

Acid Dissociation Constant (pKa)

15.68

Base Dissociation Constant (pKb)

1.43

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

61.90

S617-0160 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

GPCR Targeted Library (31838 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S617-0160 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S617-0160?
Check Price and Availability of S617-0160, 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 S617-0160 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S617-0160
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S617-0160
  • 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 S617-0160 available by request