S617-0747 Screening compound: N-[1-(cyclohexylmethyl)-4-(hydroxymethyl)piperidin-3-yl]-2-methoxyacetamide

S617-0747 Screening compound: N-[1-(cyclohexylmethyl)-4-(hydroxymethyl)piperidin-3-yl]-2-methoxyacetamide
S617-0747 Screening compound: N-[1-(cyclohexylmethyl)-4-(hydroxymethyl)piperidin-3-yl]-2-methoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S617-0747
N-[1-(cyclohexylmethyl)-4-(hydroxymethyl)piperidin-3-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

S617-0747

Molecular Formula

C16H30N2O3 (C16 H30 N2 O3)

Compound Name

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

IUPAC name

N-[(3S4S)-1-(cyclohexylmethyl)-4-(hydroxymethyl)piperidin-3-yl]-2-methoxyacetamide

SMILES

COCC(N[C@@H]1[C@H](CO)CCN(CC2CCCCC2)C1)=O

InChI

InChI=1S/C16H30N2O3/c1-21-12-16(20)17-15-10-18(8-7-14(15)11-19)9-13-5-3-2-4-6-13/h13-15,19H,2-12H2,1H3,(H,17,20)/t14-,15-/m0/s1

InChI Key

PDXXZIXRDBUBRF-GJZGRUSLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.43

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

1.177

Distribution Coefficient, logD

0.295

Water Solubility, LogSw

-1.48

Polar Surface Area

54.030

Acid Dissociation Constant (pKa)

15.08

Base Dissociation Constant (pKb)

8.22

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

93.75

S617-0747 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S617-0747 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S617-0747?
Check Price and Availability of S617-0747, 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 S617-0747 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S617-0747
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S617-0747
  • 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 S617-0747 available by request