SB55-0218 Screening compound: 1-[(3aS,6aS)-3a-(5-methyl-1,2,4-oxadiazol-3-yl)hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-2-cyclopentyl-1-ethanone

SB55-0218 Screening compound: 1-[(3aS,6aS)-3a-(5-methyl-1,2,4-oxadiazol-3-yl)hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-2-cyclopentyl-1-ethanone
SB55-0218 Screening compound: 1-[(3aS,6aS)-3a-(5-methyl-1,2,4-oxadiazol-3-yl)hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-2-cyclopentyl-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB55-0218
1-[(3aS,6aS)-3a-(5-methyl-1,2,4-oxadiazol-3-yl)hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-2-cyclopentyl-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

SB55-0218

Molecular Formula

C17H25N3O2 (C17 H25 N3 O2)

Compound Name

1-[(3aS,6aS)-3a-(5-methyl-1,2,4-oxadiazol-3-yl)hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-2-cyclopentyl-1-ethanone

IUPAC name

1-[(3aS6aS)-3a-(5-methyl-124-oxadiazol-3-yl)-octahydrocyclopenta[c]pyrrol-2-yl]-2-cyclopentylethan-1-one

SMILES

Cc1nc([C@@](CCC2)(C3)[C@@H]2CN3C(CC2CCCC2)=O)no1

InChI

InChI=1S/C17H25N3O2/c1-12-18-16(19-22-12)17-8-4-7-14(17)10-20(11-17)15(21)9-13-5-2-3-6-13/h13-14H,2-11H2,1H3/t14-,17+/m1/s1

InChI Key

YDIBZXGAJAKSJJ-PBHICJAKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.840

Distribution Coefficient, logD

2.840

Water Solubility, LogSw

-2.75

Polar Surface Area

48.342

Acid Dissociation Constant (pKa)

23.97

Base Dissociation Constant (pKb)

-0.17

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

82.35

SB55-0218 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB55-0218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB55-0218?
Check Price and Availability of SB55-0218, 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 SB55-0218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB55-0218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB55-0218
  • 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 SB55-0218 available by request