S617-0435 Screening compound: N-[4-(hydroxymethyl)-1-(3-methylbutanoyl)piperidin-3-yl]pyridine-3-carboxamide

S617-0435 Screening compound: N-[4-(hydroxymethyl)-1-(3-methylbutanoyl)piperidin-3-yl]pyridine-3-carboxamide
S617-0435 Screening compound: N-[4-(hydroxymethyl)-1-(3-methylbutanoyl)piperidin-3-yl]pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S617-0435
N-[4-(hydroxymethyl)-1-(3-methylbutanoyl)piperidin-3-yl]pyridine-3-carboxamide

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

S617-0435

Molecular Formula

C17H25N3O3 (C17 H25 N3 O3)

Compound Name

N-[4-(hydroxymethyl)-1-(3-methylbutanoyl)piperidin-3-yl]pyridine-3-carboxamide

IUPAC name

N-[(3S4S)-4-(hydroxymethyl)-1-(3-methylbutanoyl)piperidin-3-yl]pyridine-3-carboxamide

SMILES

CC(C)CC(N(CC[C@H]1CO)C[C@@H]1NC(c1cnccc1)=O)=O

InChI

InChI=1S/C17H25N3O3/c1-12(2)8-16(22)20-7-5-14(11-21)15(10-20)19-17(23)13-4-3-6-18-9-13/h3-4,6,9,12,14-15,21H,5,7-8,10-11H2,1-2H3,(H,19,23)/t14-,15-/m0/s1

InChI Key

OXBXDZTVDWRDMM-GJZGRUSLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.4

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

0.485

Distribution Coefficient, logD

0.485

Water Solubility, LogSw

-0.87

Polar Surface Area

67.534

Acid Dissociation Constant (pKa)

13.83

Base Dissociation Constant (pKb)

3.10

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

58.80

S617-0435 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S617-0435 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S617-0435?
Check Price and Availability of S617-0435, 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 S617-0435 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S617-0435
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S617-0435
  • 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 S617-0435 available by request