S240-1359 Screening compound: N-[(3S,5S)-5-(hydroxymethyl)-1-isopentyltetrahydro-1H-pyrrol-3-yl]nicotinamide

S240-1359 Screening compound: N-[(3S,5S)-5-(hydroxymethyl)-1-isopentyltetrahydro-1H-pyrrol-3-yl]nicotinamide
S240-1359 Screening compound: N-[(3S,5S)-5-(hydroxymethyl)-1-isopentyltetrahydro-1H-pyrrol-3-yl]nicotinamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S240-1359
N-[(3S,5S)-5-(hydroxymethyl)-1-isopentyltetrahydro-1H-pyrrol-3-yl]nicotinamide

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

S240-1359

Molecular Formula

C16H25N3O2 (C16 H25 N3 O2)

Compound Name

N-[(3S,5S)-5-(hydroxymethyl)-1-isopentyltetrahydro-1H-pyrrol-3-yl]nicotinamide

IUPAC name

N-[(3S5S)-5-(hydroxymethyl)-1-(3-methylbutyl)pyrrolidin-3-yl]pyridine-3-carboxamide

SMILES

CC(C)CCN(C1)[C@H](CO)C[C@@H]1NC(c1cnccc1)=O

InChI

InChI=1S/C16H25N3O2/c1-12(2)5-7-19-10-14(8-15(19)11-20)18-16(21)13-4-3-6-17-9-13/h3-4,6,9,12,14-15,20H,5,7-8,10-11H2,1-2H3,(H,18,21)/t14-,15+/m0/s1

InChI Key

FMHWQMYBPWOKTR-LSDHHAIUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.39

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

1.076

Distribution Coefficient, logD

0.510

Water Solubility, LogSw

-0.96

Polar Surface Area

54.912

Acid Dissociation Constant (pKa)

12.77

Base Dissociation Constant (pKb)

7.83

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

62.50

S240-1359 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Natural-Product-Based Library (3730 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Structure:
  • Mimetics
  • 3D
  • Pool
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S240-1359 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S240-1359?
Check Price and Availability of S240-1359, 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 S240-1359 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S240-1359
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S240-1359
  • 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 S240-1359 available by request