S732-0226 Screening compound: N-(2-methylpropyl)-9-oxo-tetradecahydrocyclopenta[b]1,5-diazacycloundecane-1-carboxamide

S732-0226 Screening compound: N-(2-methylpropyl)-9-oxo-tetradecahydrocyclopenta[b]1,5-diazacycloundecane-1-carboxamide
S732-0226 Screening compound: N-(2-methylpropyl)-9-oxo-tetradecahydrocyclopenta[b]1,5-diazacycloundecane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S732-0226
N-(2-methylpropyl)-9-oxo-tetradecahydrocyclopenta[b]1,5-diazacycloundecane-1-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

S732-0226

Molecular Formula

C17H31N3O2 (C17 H31 N3 O2)

Compound Name

N-(2-methylpropyl)-9-oxo-tetradecahydrocyclopenta[b]1,5-diazacycloundecane-1-carboxamide

IUPAC name

(9aR12aS)-N-(2-methylpropyl)-9-oxo-tetradecahydrocyclopenta[b]15-diazacycloundecane-1-carboxamide

SMILES

CC(C)CNC(N(CCCCCCN1)[C@@H](CCC2)[C@@H]2C1=O)=O

InChI

InChI=1S/C17H31N3O2/c1-13(2)12-19-17(22)20-11-6-4-3-5-10-18-16(21)14-8-7-9-15(14)20/h13-15H,3-12H2,1-2H3,(H,18,21)(H,19,22)/t14-,15+/m1/s1

InChI Key

XHFGISAVRLVVDV-CABCVRRESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.091

Distribution Coefficient, logD

2.091

Water Solubility, LogSw

-2.53

Polar Surface Area

52.289

Acid Dissociation Constant (pKa)

14.14

Base Dissociation Constant (pKb)

2.61

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

88.24

S732-0226 in Drug Discovery

Included in Screening Libraries

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

Macrocycles Library (2450 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S732-0226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S732-0226?
Check Price and Availability of S732-0226, 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 S732-0226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S732-0226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S732-0226
  • 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 S732-0226 available by request