SB47-0523 Screening compound: 1-[(3aS,6aS)-5-benzyl-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(2-methyl-1H-imidazol-1-yl)-1-ethanone

SB47-0523 Screening compound: 1-[(3aS,6aS)-5-benzyl-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(2-methyl-1H-imidazol-1-yl)-1-ethanone
SB47-0523 Screening compound: 1-[(3aS,6aS)-5-benzyl-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(2-methyl-1H-imidazol-1-yl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB47-0523
1-[(3aS,6aS)-5-benzyl-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(2-methyl-1H-imidazol-1-yl)-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

SB47-0523

Molecular Formula

C22H27N7O (C22 H27 N7 O)

Compound Name

1-[(3aS,6aS)-5-benzyl-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(2-methyl-1H-imidazol-1-yl)-1-ethanone

IUPAC name

1-[(3aS6aS)-5-benzyl-3a-(3-methyl-1H-124-triazol-5-yl)-octahydropyrrolo[34-c]pyrrol-2-yl]-2-(2-methyl-1H-imidazol-1-yl)ethan-1-one

SMILES

Cc1nccn1CC(N(C[C@@H]1CN(Cc2ccccc2)C2)C[C@@]12c1nc(C)n[nH]1)=O

InChI

InChI=1S/C22H27N7O/c1-16-24-21(26-25-16)22-14-27(10-18-6-4-3-5-7-18)11-19(22)12-29(15-22)20(30)13-28-9-8-23-17(28)2/h3-9,19H,10-15H2,1-2H3,(H,24,25,26)/t19-,22+/m1/s1

InChI Key

KVCHEDDMHBSIRB-KNQAVFIVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.703

Distribution Coefficient, logD

-4.154

Water Solubility, LogSw

-1.73

Polar Surface Area

66.242

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

11.75

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.46

SB47-0523 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with SB47-0523 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB47-0523?
Check Price and Availability of SB47-0523, 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 SB47-0523 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB47-0523
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB47-0523
  • 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 SB47-0523 available by request