SC54-0208 Screening compound: 1-[(3aR,7aR)-2-benzyl-7a-(5-methyl-1,3,4-oxadiazol-2-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-ethanone

SC54-0208 Screening compound: 1-[(3aR,7aR)-2-benzyl-7a-(5-methyl-1,3,4-oxadiazol-2-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-ethanone
SC54-0208 Screening compound: 1-[(3aR,7aR)-2-benzyl-7a-(5-methyl-1,3,4-oxadiazol-2-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC54-0208
1-[(3aR,7aR)-2-benzyl-7a-(5-methyl-1,3,4-oxadiazol-2-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(3,5-dimethyl-1H-pyrazol-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

SC54-0208

Molecular Formula

C24H30N6O2 (C24 H30 N6 O2)

Compound Name

1-[(3aR,7aR)-2-benzyl-7a-(5-methyl-1,3,4-oxadiazol-2-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-ethanone

IUPAC name

1-[(3aR7aR)-2-benzyl-7a-(5-methyl-134-oxadiazol-2-yl)-octahydro-1H-pyrrolo[34-c]pyridin-5-yl]-2-(35-dimethyl-1H-pyrazol-1-yl)ethan-1-one

SMILES

Cc1cc(C)nn1CC(N(CC1)C[C@H](CN(Cc2ccccc2)C2)[C@]12c1nnc(C)o1)=O

InChI

InChI=1S/C24H30N6O2/c1-17-11-18(2)30(27-17)15-22(31)29-10-9-24(23-26-25-19(3)32-23)16-28(13-21(24)14-29)12-20-7-5-4-6-8-20/h4-8,11,21H,9-10,12-16H2,1-3H3/t21-,24+/m0/s1

InChI Key

RSLJRXHNOYORQW-XUZZJYLKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.945

Distribution Coefficient, logD

-2.287

Water Solubility, LogSw

-1.58

Polar Surface Area

63.737

Acid Dissociation Constant (pKa)

25.05

Base Dissociation Constant (pKb)

10.63

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

SC54-0208 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC54-0208 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC54-0208?
Check Price and Availability of SC54-0208, 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 SC54-0208 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC54-0208
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC54-0208
  • 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 SC54-0208 available by request