SB82-0079 Screening compound: (9aR,12aS)-1-acetyl-5-[2-(2-methylphenyl)acetyl]dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one

SB82-0079 Screening compound: (9aR,12aS)-1-acetyl-5-[2-(2-methylphenyl)acetyl]dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
SB82-0079 Screening compound: (9aR,12aS)-1-acetyl-5-[2-(2-methylphenyl)acetyl]dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SB82-0079
(9aR,12aS)-1-acetyl-5-[2-(2-methylphenyl)acetyl]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

SB82-0079

Molecular Formula

C22H31N3O3 (C22 H31 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(N(CCCN(CCN1)C(Cc2c(C)cccc2)=O)[C@@H](CCC2)[C@@H]2C1=O)=O

InChI

InChI=1S/C22H31N3O3/c1-16-7-3-4-8-18(16)15-21(27)24-12-6-13-25(17(2)26)20-10-5-9-19(20)22(28)23-11-14-24/h3-4,7-8,19-20H,5-6,9-15H2,1-2H3,(H,23,28)/t19-,20+/m1/s1

InChI Key

RSNPJLVYLQAHKK-UXHICEINSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.422

Distribution Coefficient, logD

1.422

Water Solubility, LogSw

-2.15

Polar Surface Area

58.542

Acid Dissociation Constant (pKa)

14.41

Base Dissociation Constant (pKb)

1.16

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

59.09

SB82-0079 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 SB82-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB82-0079?
Check Price and Availability of SB82-0079, 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 SB82-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB82-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB82-0079
  • 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 SB82-0079 available by request