SB82-0943 Screening compound: (9aR,12aS)-1-(methylsulfonyl)-5-(3-thienylcarbonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one

SB82-0943 Screening compound: (9aR,12aS)-1-(methylsulfonyl)-5-(3-thienylcarbonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
SB82-0943 Screening compound: (9aR,12aS)-1-(methylsulfonyl)-5-(3-thienylcarbonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SB82-0943
(9aR,12aS)-1-(methylsulfonyl)-5-(3-thienylcarbonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one

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

SB82-0943

Molecular Formula

C17H25N3O4S2 (C17 H25 N3 O4 S2)

Compound Name

(9aR,12aS)-1-(methylsulfonyl)-5-(3-thienylcarbonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one

IUPAC name

(9aR12aS)-1-methanesulfonyl-5-(thiophene-3-carbonyl)-tetradecahydrocyclopenta[f]148-triazacycloundecan-9-one

SMILES

CS(N(CCCN(CCN1)C(c2cscc2)=O)[C@@H](CCC2)[C@@H]2C1=O)(=O)=O

InChI

InChI=1S/C17H25N3O4S2/c1-26(23,24)20-9-3-8-19(17(22)13-6-11-25-12-13)10-7-18-16(21)14-4-2-5-15(14)20/h6,11-12,14-15H,2-5,7-10H2,1H3,(H,18,21)/t14-,15+/m1/s1

InChI Key

RHORCQMHHRAZJI-CABCVRRESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.226

Distribution Coefficient, logD

0.226

Water Solubility, LogSw

-2.30

Polar Surface Area

74.952

Acid Dissociation Constant (pKa)

14.54

Base Dissociation Constant (pKb)

-1.76

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

64.71

SB82-0943 in Drug Discovery

Included in Screening Libraries

Macrocycles Library (2450 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 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
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with SB82-0943 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB82-0943?
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What is the minimum amount of SB82-0943 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB82-0943
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB82-0943
  • 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 SB82-0943 available by request