SB23-1118 Screening compound: 1-[(3aR,7aS)-2-[(5-methyl-2-thienyl)carbonyl]-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-methoxy-1-ethanone

SB23-1118 Screening compound: 1-[(3aR,7aS)-2-[(5-methyl-2-thienyl)carbonyl]-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-methoxy-1-ethanone
SB23-1118 Screening compound: 1-[(3aR,7aS)-2-[(5-methyl-2-thienyl)carbonyl]-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-methoxy-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB23-1118
1-[(3aR,7aS)-2-[(5-methyl-2-thienyl)carbonyl]-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-methoxy-1-ethanone

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

SB23-1118

Molecular Formula

C19H25N5O3S (C19 H25 N5 O3 S)

Compound Name

1-[(3aR,7aS)-2-[(5-methyl-2-thienyl)carbonyl]-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-methoxy-1-ethanone

IUPAC name

1-[(3aR7aS)-7a-(3-methyl-1H-124-triazol-5-yl)-2-(5-methylthiophene-2-carbonyl)-octahydro-1H-pyrrolo[34-c]pyridin-5-yl]-2-methoxyethan-1-one

SMILES

Cc1ccc(C(N(C[C@H]2CN(CC3)C(COC)=O)C[C@]23c2nc(C)n[nH]2)=O)s1

InChI

InChI=1S/C19H25N5O3S/c1-12-4-5-15(28-12)17(26)24-9-14-8-23(16(25)10-27-3)7-6-19(14,11-24)18-20-13(2)21-22-18/h4-5,14H,6-11H2,1-3H3,(H,20,21,22)/t14-,19+/m0/s1

InChI Key

VOZGNWXMWVMQFL-IFXJQAMLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.077

Distribution Coefficient, logD

1.076

Water Solubility, LogSw

-2.18

Polar Surface Area

76.014

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

2.47

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

57.90

SB23-1118 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB23-1118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB23-1118?
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What is the minimum amount of SB23-1118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB23-1118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB23-1118
  • 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 SB23-1118 available by request