SB47-0668 Screening compound: [(3aR,6aR)-5-isopropyl-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](3-pyridyl)methanone

SB47-0668 Screening compound: [(3aR,6aR)-5-isopropyl-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](3-pyridyl)methanone
SB47-0668 Screening compound: [(3aR,6aR)-5-isopropyl-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](3-pyridyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB47-0668
[(3aR,6aR)-5-isopropyl-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](3-pyridyl)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

SB47-0668

Molecular Formula

C18H24N6O (C18 H24 N6 O)

Compound Name

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

IUPAC name

3-[(3aR6aR)-3a-(3-methyl-1H-124-triazol-5-yl)-5-(propan-2-yl)-octahydropyrrolo[34-c]pyrrole-2-carbonyl]pyridine

SMILES

CC(C)N(C[C@H]1CN(C2)C(c3cnccc3)=O)C[C@]12c1nc(C)n[nH]1

InChI

InChI=1S/C18H24N6O/c1-12(2)23-8-15-9-24(16(25)14-5-4-6-19-7-14)11-18(15,10-23)17-20-13(3)21-22-17/h4-7,12,15H,8-11H2,1-3H3,(H,20,21,22)/t15-,18+/m1/s1

InChI Key

AMIMPYHJLVKDNT-QAPCUYQASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.475

Distribution Coefficient, logD

-5.769

Water Solubility, LogSw

-1.05

Polar Surface Area

64.053

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

13.14

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.56

SB47-0668 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS BBB Library (22607 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 SB47-0668 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB47-0668?
Check Price and Availability of SB47-0668, 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 SB47-0668 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB47-0668
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB47-0668
  • 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 SB47-0668 available by request