SC54-0140 Screening compound: 1-[(3aR,7aR)-2-cyclopentyl-7a-(5-methyl-1,3,4-oxadiazol-2-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(3-thienyl)-1-ethanone

SC54-0140 Screening compound: 1-[(3aR,7aR)-2-cyclopentyl-7a-(5-methyl-1,3,4-oxadiazol-2-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(3-thienyl)-1-ethanone
SC54-0140 Screening compound: 1-[(3aR,7aR)-2-cyclopentyl-7a-(5-methyl-1,3,4-oxadiazol-2-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(3-thienyl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC54-0140
1-[(3aR,7aR)-2-cyclopentyl-7a-(5-methyl-1,3,4-oxadiazol-2-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(3-thienyl)-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

SC54-0140

Molecular Formula

C21H28N4O2S (C21 H28 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1nnc([C@@](CN(C2)C3CCCC3)(CC3)[C@@H]2CN3C(Cc2cscc2)=O)o1

InChI

InChI=1S/C21H28N4O2S/c1-15-22-23-20(27-15)21-7-8-24(19(26)10-16-6-9-28-13-16)11-17(21)12-25(14-21)18-4-2-3-5-18/h6,9,13,17-18H,2-5,7-8,10-12,14H2,1H3/t17-,21-/m1/s1

InChI Key

GINJRPAVQSVBHI-DYESRHJHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.238

Distribution Coefficient, logD

-2.347

Water Solubility, LogSw

-2.45

Polar Surface Area

50.668

Acid Dissociation Constant (pKa)

19.07

Base Dissociation Constant (pKb)

11.98

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

66.67

SC54-0140 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC54-0140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC54-0140?
Check Price and Availability of SC54-0140, 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 SC54-0140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC54-0140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC54-0140
  • 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 SC54-0140 available by request