S229-0780 Screening compound: N~1~-[(3S,4S)-4-(hydroxymethyl)hexahydro-3-pyridinyl]-1-cyclopropanecarboxamide

S229-0780 Screening compound: N~1~-[(3S,4S)-4-(hydroxymethyl)hexahydro-3-pyridinyl]-1-cyclopropanecarboxamide
S229-0780 Screening compound: N~1~-[(3S,4S)-4-(hydroxymethyl)hexahydro-3-pyridinyl]-1-cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S229-0780
N~1~-[(3S,4S)-4-(hydroxymethyl)hexahydro-3-pyridinyl]-1-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

S229-0780

Molecular Formula

C10H18N2O2 (C10 H18 N2 O2)

Compound Name

N~1~-[(3S,4S)-4-(hydroxymethyl)hexahydro-3-pyridinyl]-1-cyclopropanecarboxamide

IUPAC name

n/a

SMILES

OC[C@H](CCNC1)[C@H]1NC(C1CC1)=O

InChI

InChI=1S/C10H18N2O2/c13-6-8-3-4-11-5-9(8)12-10(14)7-1-2-7/h7-9,11,13H,1-6H2,(H,12,14)/t8-,9-/m0/s1

InChI Key

YJIYQOSOGYZMSK-IUCAKERBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

198.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

-0.990

Distribution Coefficient, logD

-3.131

Water Solubility, LogSw

-0.31

Polar Surface Area

54.297

Acid Dissociation Constant (pKa)

15.68

Base Dissociation Constant (pKb)

9.54

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

90.00

S229-0780 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S229-0780 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S229-0780?
Check Price and Availability of S229-0780, 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 S229-0780 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S229-0780
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S229-0780
  • 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 S229-0780 available by request