SB23-1298 Screening compound: 1-[(3aR,7aS)-5-(4-ethylbenzyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-methyl-1-propanone

SB23-1298 Screening compound: 1-[(3aR,7aS)-5-(4-ethylbenzyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-methyl-1-propanone
SB23-1298 Screening compound: 1-[(3aR,7aS)-5-(4-ethylbenzyl)-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 SB23-1298
1-[(3aR,7aS)-5-(4-ethylbenzyl)-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

SB23-1298

Molecular Formula

C23H33N5O (C23 H33 N5 O)

Compound Name

1-[(3aR,7aS)-5-(4-ethylbenzyl)-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-[(4-ethylphenyl)methyl]-7a-(3-methyl-1H-124-triazol-5-yl)-octahydro-1H-pyrrolo[34-c]pyridin-2-yl]-2-methylpropan-1-one

SMILES

CCc1ccc(CN(CC2)C[C@H](CN(C3)C(C(C)C)=O)[C@]23c2nc(C)n[nH]2)cc1

InChI

InChI=1S/C23H33N5O/c1-5-18-6-8-19(9-7-18)12-27-11-10-23(22-24-17(4)25-26-22)15-28(14-20(23)13-27)21(29)16(2)3/h6-9,16,20H,5,10-15H2,1-4H3,(H,24,25,26)/t20-,23+/m0/s1

InChI Key

GUDRCKFDOVBOAE-NZQKXSOJSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.283

Distribution Coefficient, logD

1.366

Water Solubility, LogSw

-3.20

Polar Surface Area

54.183

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

9.31

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

60.87

SB23-1298 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SB23-1298 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB23-1298?
Check Price and Availability of SB23-1298, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of SB23-1298 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB23-1298
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB23-1298
  • 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 SB23-1298 available by request