SB23-0872 Screening compound: 1-[(3aR,7aS)-2-(cyclopropylcarbonyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-3-(2-methoxyphenyl)-1-propanone

SB23-0872 Screening compound: 1-[(3aR,7aS)-2-(cyclopropylcarbonyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-3-(2-methoxyphenyl)-1-propanone
SB23-0872 Screening compound: 1-[(3aR,7aS)-2-(cyclopropylcarbonyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-3-(2-methoxyphenyl)-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB23-0872
1-[(3aR,7aS)-2-(cyclopropylcarbonyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-3-(2-methoxyphenyl)-1-propanone

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

SB23-0872

Molecular Formula

C24H31N5O3 (C24 H31 N5 O3)

Compound Name

1-[(3aR,7aS)-2-(cyclopropylcarbonyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-3-(2-methoxyphenyl)-1-propanone

IUPAC name

1-[(3aR7aS)-2-cyclopropanecarbonyl-7a-(3-methyl-1H-124-triazol-5-yl)-octahydro-1H-pyrrolo[34-c]pyridin-5-yl]-3-(2-methoxyphenyl)propan-1-one

SMILES

Cc1n[nH]c([C@@](CN(C2)C(C3CC3)=O)(CC3)[C@@H]2CN3C(CCc(cccc2)c2OC)=O)n1

InChI

InChI=1S/C24H31N5O3/c1-16-25-23(27-26-16)24-11-12-28(13-19(24)14-29(15-24)22(31)18-7-8-18)21(30)10-9-17-5-3-4-6-20(17)32-2/h3-6,18-19H,7-15H2,1-2H3,(H,25,26,27)/t19-,24+/m0/s1

InChI Key

ABGJNWVAFBMJBT-YADARESESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.136

Distribution Coefficient, logD

2.136

Water Solubility, LogSw

-2.55

Polar Surface Area

74.454

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

3.87

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

58.33

SB23-0872 in Drug Discovery

Included in Screening Libraries

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 SB23-0872 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB23-0872?
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What is the minimum amount of SB23-0872 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB23-0872
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB23-0872
  • 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 SB23-0872 available by request