SB47-0574 Screening compound: [(3aR,6aR)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-(3-pyridylmethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](phenyl)methanone

SB47-0574 Screening compound: [(3aR,6aR)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-(3-pyridylmethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](phenyl)methanone
SB47-0574 Screening compound: [(3aR,6aR)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-(3-pyridylmethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](phenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB47-0574
[(3aR,6aR)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-(3-pyridylmethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](phenyl)methanone

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

SB47-0574

Molecular Formula

C22H24N6O (C22 H24 N6 O)

Compound Name

[(3aR,6aR)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-(3-pyridylmethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](phenyl)methanone

IUPAC name

3-{[(3aR6aR)-5-benzoyl-3a-(3-methyl-1H-124-triazol-5-yl)-octahydropyrrolo[34-c]pyrrol-2-yl]methyl}pyridine

SMILES

Cc1n[nH]c([C@@](CN(Cc2cnccc2)C2)(C3)[C@@H]2CN3C(c2ccccc2)=O)n1

InChI

InChI=1S/C22H24N6O/c1-16-24-21(26-25-16)22-14-27(11-17-6-5-9-23-10-17)12-19(22)13-28(15-22)20(29)18-7-3-2-4-8-18/h2-10,19H,11-15H2,1H3,(H,24,25,26)/t19-,22+/m1/s1

InChI Key

FGHJLRFXZPDAQI-KNQAVFIVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.099

Distribution Coefficient, logD

-2.999

Water Solubility, LogSw

-1.23

Polar Surface Area

63.729

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

10.99

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.36

SB47-0574 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SB47-0574 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB47-0574?
Check Price and Availability of SB47-0574, 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 SB47-0574 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB47-0574
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB47-0574
  • 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 SB47-0574 available by request