SB23-1292 Screening compound: 1-[(3aR,7aS)-5-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-methyl-1-propanone

SB23-1292 Screening compound: 1-[(3aR,7aS)-5-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-methyl-1-propanone
SB23-1292 Screening compound: 1-[(3aR,7aS)-5-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-methyl-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB23-1292
1-[(3aR,7aS)-5-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-methyl-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

SB23-1292

Molecular Formula

C20H31N7O (C20 H31 N7 O)

Compound Name

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

IUPAC name

1-[(3aR7aS)-5-[(15-dimethyl-1H-pyrazol-4-yl)methyl]-7a-(3-methyl-1H-124-triazol-5-yl)-octahydro-1H-pyrrolo[34-c]pyridin-2-yl]-2-methylpropan-1-one

SMILES

CC(C)C(N(C[C@H]1CN(Cc2c(C)n(C)nc2)CC2)C[C@]12c1nc(C)n[nH]1)=O

InChI

InChI=1S/C20H31N7O/c1-13(2)18(28)27-11-17-10-26(9-16-8-21-25(5)14(16)3)7-6-20(17,12-27)19-22-15(4)23-24-19/h8,13,17H,6-7,9-12H2,1-5H3,(H,22,23,24)/t17-,20+/m0/s1

InChI Key

VOVLVWIQBXCZQN-FXAWDEMLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.845

Distribution Coefficient, logD

-4.237

Water Solubility, LogSw

-1.42

Polar Surface Area

68.670

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

12.54

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

70.00

SB23-1292 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SB23-1292 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB23-1292?
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What is the minimum amount of SB23-1292 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB23-1292
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB23-1292
  • 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 SB23-1292 available by request