SB82-0921 Screening compound: (9aR,12aS)-5-[(1-ethyl-1H-pyrazol-3-yl)carbonyl]-1-(methylsulfonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one

SB82-0921 Screening compound: (9aR,12aS)-5-[(1-ethyl-1H-pyrazol-3-yl)carbonyl]-1-(methylsulfonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
SB82-0921 Screening compound: (9aR,12aS)-5-[(1-ethyl-1H-pyrazol-3-yl)carbonyl]-1-(methylsulfonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SB82-0921
(9aR,12aS)-5-[(1-ethyl-1H-pyrazol-3-yl)carbonyl]-1-(methylsulfonyl)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

SB82-0921

Molecular Formula

C18H29N5O4S (C18 H29 N5 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCn(cc1)nc1C(N(CCCN([C@@H]1[C@H]2CCC1)S(C)(=O)=O)CCNC2=O)=O

InChI

InChI=1S/C18H29N5O4S/c1-3-22-12-8-15(20-22)18(25)21-10-5-11-23(28(2,26)27)16-7-4-6-14(16)17(24)19-9-13-21/h8,12,14,16H,3-7,9-11,13H2,1-2H3,(H,19,24)/t14-,16+/m1/s1

InChI Key

XFFJLJYCSVLYQB-ZBFHGGJFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.654

Distribution Coefficient, logD

-0.654

Water Solubility, LogSw

-2.25

Polar Surface Area

88.319

Acid Dissociation Constant (pKa)

14.61

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

72.22

SB82-0921 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 SB82-0921 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB82-0921?
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What is the minimum amount of SB82-0921 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB82-0921
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB82-0921
  • 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 SB82-0921 available by request