S732-0539 Screening compound: N,N,8-trimethyl-9-oxo-tetradecahydrocyclopenta[b]1,5-diazacycloundecane-1-sulfonamide

S732-0539 Screening compound: N,N,8-trimethyl-9-oxo-tetradecahydrocyclopenta[b]1,5-diazacycloundecane-1-sulfonamide
S732-0539 Screening compound: N,N,8-trimethyl-9-oxo-tetradecahydrocyclopenta[b]1,5-diazacycloundecane-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S732-0539
N,N,8-trimethyl-9-oxo-tetradecahydrocyclopenta[b]1,5-diazacycloundecane-1-sulfonamide

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

S732-0539

Molecular Formula

C15H29N3O3S (C15 H29 N3 O3 S)

Compound Name

N,N,8-trimethyl-9-oxo-tetradecahydrocyclopenta[b]1,5-diazacycloundecane-1-sulfonamide

IUPAC name

(9aR12aS)-NN8-trimethyl-9-oxo-tetradecahydrocyclopenta[b]15-diazacycloundecane-1-sulfonamide

SMILES

CN(C)S(N(CCCCCCN1C)[C@@H](CCC2)[C@@H]2C1=O)(=O)=O

InChI

InChI=1S/C15H29N3O3S/c1-16(2)22(20,21)18-12-7-5-4-6-11-17(3)15(19)13-9-8-10-14(13)18/h13-14H,4-12H2,1-3H3/t13-,14+/m1/s1

InChI Key

PUMPJDBBPPFXEV-KGLIPLIRSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.886

Distribution Coefficient, logD

0.886

Water Solubility, LogSw

-1.83

Polar Surface Area

53.405

Acid Dissociation Constant (pKa)

22.31

Base Dissociation Constant (pKb)

-0.08

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

93.33

S732-0539 in Drug Discovery

Included in Screening Libraries

Macrocycles Library (2450 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S732-0539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S732-0539?
Check Price and Availability of S732-0539, 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 S732-0539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S732-0539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S732-0539
  • 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 S732-0539 available by request