SB82-0075 Screening compound: (9aR,12aS)-1-acetyl-5-(5,6,7,8-tetrahydro-2-naphthalenylsulfonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one

SB82-0075 Screening compound: (9aR,12aS)-1-acetyl-5-(5,6,7,8-tetrahydro-2-naphthalenylsulfonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
SB82-0075 Screening compound: (9aR,12aS)-1-acetyl-5-(5,6,7,8-tetrahydro-2-naphthalenylsulfonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SB82-0075
(9aR,12aS)-1-acetyl-5-(5,6,7,8-tetrahydro-2-naphthalenylsulfonyl)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

SB82-0075

Molecular Formula

C23H33N3O4S (C23 H33 N3 O4 S)

Compound Name

(9aR,12aS)-1-acetyl-5-(5,6,7,8-tetrahydro-2-naphthalenylsulfonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one

IUPAC name

(9aR12aS)-1-acetyl-5-(5678-tetrahydronaphthalene-2-sulfonyl)-tetradecahydrocyclopenta[f]148-triazacycloundecan-9-one

SMILES

CC(N(CCCN(CCN1)S(c2cc(CCCC3)c3cc2)(=O)=O)[C@@H](CCC2)[C@@H]2C1=O)=O

InChI

InChI=1S/C23H33N3O4S/c1-17(27)26-14-5-13-25(15-12-24-23(28)21-8-4-9-22(21)26)31(29,30)20-11-10-18-6-2-3-7-19(18)16-20/h10-11,16,21-22H,2-9,12-15H2,1H3,(H,24,28)/t21-,22+/m0/s1

InChI Key

FFUAJRITKQZYMY-FCHUYYIVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.6

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

2.057

Distribution Coefficient, logD

2.057

Water Solubility, LogSw

-3.00

Polar Surface Area

74.053

Acid Dissociation Constant (pKa)

13.74

Base Dissociation Constant (pKb)

0.59

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

65.22

SB82-0075 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 SB82-0075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB82-0075?
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What is the minimum amount of SB82-0075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB82-0075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB82-0075
  • 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 SB82-0075 available by request