SB23-0904 Screening compound: [(3aS,7aS)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-(phenylsulfonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl](cyclopropyl)methanone

SB23-0904 Screening compound: [(3aS,7aS)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-(phenylsulfonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl](cyclopropyl)methanone
SB23-0904 Screening compound: [(3aS,7aS)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-(phenylsulfonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl](cyclopropyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB23-0904
[(3aS,7aS)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-(phenylsulfonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl](cyclopropyl)methanone

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

SB23-0904

Molecular Formula

C20H25N5O3S (C20 H25 N5 O3 S)

Compound Name

[(3aS,7aS)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-(phenylsulfonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl](cyclopropyl)methanone

IUPAC name

5-[(3aS7aS)-5-(benzenesulfonyl)-2-cyclopropanecarbonyl-octahydro-1H-pyrrolo[34-c]pyridin-7a-yl]-3-methyl-1H-124-triazole

SMILES

Cc1n[nH]c([C@@](CN(C2)C(C3CC3)=O)(CC3)[C@@H]2CN3S(c2ccccc2)(=O)=O)n1

InChI

InChI=1S/C20H25N5O3S/c1-14-21-19(23-22-14)20-9-10-25(29(27,28)17-5-3-2-4-6-17)12-16(20)11-24(13-20)18(26)15-7-8-15/h2-6,15-16H,7-13H2,1H3,(H,21,22,23)/t16-,20+/m0/s1

InChI Key

GHEIQXDYPQYVOH-OXJNMPFZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.675

Distribution Coefficient, logD

1.674

Water Solubility, LogSw

-2.52

Polar Surface Area

82.413

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

4.25

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.00

SB23-0904 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SB23-0904 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB23-0904?
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What is the minimum amount of SB23-0904 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB23-0904
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB23-0904
  • 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 SB23-0904 available by request