SB23-1277 Screening compound: 1-[(3aR,7aS)-5-(4-isopropoxybenzyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-methyl-1-propanone

SB23-1277 Screening compound: 1-[(3aR,7aS)-5-(4-isopropoxybenzyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-methyl-1-propanone
SB23-1277 Screening compound: 1-[(3aR,7aS)-5-(4-isopropoxybenzyl)-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 SB23-1277
1-[(3aR,7aS)-5-(4-isopropoxybenzyl)-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

SB23-1277

Molecular Formula

C24H35N5O2 (C24 H35 N5 O2)

Compound Name

1-[(3aR,7aS)-5-(4-isopropoxybenzyl)-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)-7a-(3-methyl-1H-124-triazol-5-yl)-5-{[4-(propan-2-yloxy)phenyl]methyl}-octahydro-1H-pyrrolo[34-c]pyridin-2-yl]-2-methylpropan-1-one

SMILES

CC(C)C(N(C[C@H]1CN(Cc(cc2)ccc2OC(C)C)CC2)C[C@]12c1nc(C)n[nH]1)=O

InChI

InChI=1S/C24H35N5O2/c1-16(2)22(30)29-14-20-13-28(12-19-6-8-21(9-7-19)31-17(3)4)11-10-24(20,15-29)23-25-18(5)26-27-23/h6-9,16-17,20H,10-15H2,1-5H3,(H,25,26,27)/t20-,24+/m0/s1

InChI Key

GDZANYIIURLKMR-GBXCKJPGSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.019

Distribution Coefficient, logD

1.877

Water Solubility, LogSw

-3.16

Polar Surface Area

60.986

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

8.51

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

62.50

SB23-1277 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 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 SB23-1277 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB23-1277?
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What is the minimum amount of SB23-1277 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB23-1277
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB23-1277
  • 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 SB23-1277 available by request