SC54-0256 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-fluorophenyl)-1-ethanone

SC54-0256 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-fluorophenyl)-1-ethanone
SC54-0256 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-fluorophenyl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC54-0256
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-fluorophenyl)-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

SC54-0256

Molecular Formula

C25H27FN4O2 (C25 H27 FN4 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-fluorophenyl)-1-ethanone

IUPAC name

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

SMILES

Cc1nnc([C@@](CN(Cc2ccccc2)C2)(CC3)[C@@H]2CN3C(Cc2cccc(F)c2)=O)o1

InChI

InChI=1S/C25H27FN4O2/c1-18-27-28-24(32-18)25-10-11-30(23(31)13-20-8-5-9-22(26)12-20)16-21(25)15-29(17-25)14-19-6-3-2-4-7-19/h2-9,12,21H,10-11,13-17H2,1H3/t21-,25+/m0/s1

InChI Key

ZLPVFVCOUHEPAT-SQJMNOBHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.944

Distribution Coefficient, logD

-0.288

Water Solubility, LogSw

-3.10

Polar Surface Area

49.730

Acid Dissociation Constant (pKa)

17.82

Base Dissociation Constant (pKb)

10.63

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with SC54-0256 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC54-0256?
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What is the minimum amount of SC54-0256 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC54-0256
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC54-0256
  • 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 SC54-0256 available by request