S229-1744 Screening compound: N~3~-[(3S,4S)-4-(hydroxymethyl)hexahydro-3-pyridinyl]nicotinamide

S229-1744 Screening compound: N~3~-[(3S,4S)-4-(hydroxymethyl)hexahydro-3-pyridinyl]nicotinamide
S229-1744 Screening compound: N~3~-[(3S,4S)-4-(hydroxymethyl)hexahydro-3-pyridinyl]nicotinamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S229-1744
N~3~-[(3S,4S)-4-(hydroxymethyl)hexahydro-3-pyridinyl]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

S229-1744

Molecular Formula

C12H17N3O2 (C12 H17 N3 O2)

Compound Name

N~3~-[(3S,4S)-4-(hydroxymethyl)hexahydro-3-pyridinyl]nicotinamide

IUPAC name

n/a

SMILES

OC[C@H](CCNC1)[C@H]1NC(c1cnccc1)=O

InChI

InChI=1S/C12H17N3O2/c16-8-10-3-5-14-7-11(10)15-12(17)9-2-1-4-13-6-9/h1-2,4,6,10-11,14,16H,3,5,7-8H2,(H,15,17)/t10-,11-/m0/s1

InChI Key

HGDHJYIYGGDIJN-QWRGUYRKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

235.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

-1.376

Distribution Coefficient, logD

-2.688

Water Solubility, LogSw

-0.61

Polar Surface Area

63.292

Acid Dissociation Constant (pKa)

13.83

Base Dissociation Constant (pKb)

8.69

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

S229-1744 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with S229-1744 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S229-1744?
Check Price and Availability of S229-1744, 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 S229-1744 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S229-1744
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S229-1744
  • 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 S229-1744 available by request