SC54-0251 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-methoxyphenyl)-1-ethanone

SC54-0251 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-methoxyphenyl)-1-ethanone
SC54-0251 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-methoxyphenyl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC54-0251
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-methoxyphenyl)-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

SC54-0251

Molecular Formula

C26H30N4O3 (C26 H30 N4 O3)

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-methoxyphenyl)-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-methoxyphenyl)ethan-1-one

SMILES

Cc1nnc([C@@](CN(Cc2ccccc2)C2)(CC3)[C@@H]2CN3C(Cc2cc(OC)ccc2)=O)o1

InChI

InChI=1S/C26H30N4O3/c1-19-27-28-25(33-19)26-11-12-30(24(31)14-21-9-6-10-23(13-21)32-2)17-22(26)16-29(18-26)15-20-7-4-3-5-8-20/h3-10,13,22H,11-12,14-18H2,1-2H3/t22-,26+/m0/s1

InChI Key

CVTVRBBADRPSEH-BKMJKUGQSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.878

Distribution Coefficient, logD

-0.355

Water Solubility, LogSw

-3.20

Polar Surface Area

57.274

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

10.63

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.31

References: we are preparing a list of scientific research reports with SC54-0251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC54-0251?
Check Price and Availability of SC54-0251, 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 SC54-0251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC54-0251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC54-0251
  • 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 SC54-0251 available by request