SB82-0750 Screening compound: (9aR,12aS)-1-benzoyl-5-(3-phenylpropanoyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one

SB82-0750 Screening compound: (9aR,12aS)-1-benzoyl-5-(3-phenylpropanoyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
SB82-0750 Screening compound: (9aR,12aS)-1-benzoyl-5-(3-phenylpropanoyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SB82-0750
(9aR,12aS)-1-benzoyl-5-(3-phenylpropanoyl)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

SB82-0750

Molecular Formula

C27H33N3O3 (C27 H33 N3 O3)

Compound Name

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

IUPAC name

(9aR12aS)-1-benzoyl-5-(3-phenylpropanoyl)-tetradecahydrocyclopenta[f]148-triazacycloundecan-9-one

SMILES

O=C(CCc1ccccc1)N(CCCN([C@@H]1[C@H]2CCC1)C(c1ccccc1)=O)CCNC2=O

InChI

InChI=1S/C27H33N3O3/c31-25(16-15-21-9-3-1-4-10-21)29-18-8-19-30(27(33)22-11-5-2-6-12-22)24-14-7-13-23(24)26(32)28-17-20-29/h1-6,9-12,23-24H,7-8,13-20H2,(H,28,32)/t23-,24+/m1/s1

InChI Key

JNGQGSPLYYCROX-RPWUZVMVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.477

Distribution Coefficient, logD

2.477

Water Solubility, LogSw

-2.89

Polar Surface Area

57.803

Acid Dissociation Constant (pKa)

14.41

Base Dissociation Constant (pKb)

0.20

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.44

SB82-0750 in Drug Discovery

Included in Screening Libraries

Macrocycles Library (2450 compounds)

Protein-Protein Interaction Library (218420 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with SB82-0750 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB82-0750?
Check Price and Availability of SB82-0750, 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 SB82-0750 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB82-0750
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB82-0750
  • 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 SB82-0750 available by request