SB55-1116 Screening compound: 1-[(3aS,6aS)-3a-(5-ethyl-1,2,4-oxadiazol-3-yl)hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3-cyclohexyl-1-propanone

SB55-1116 Screening compound: 1-[(3aS,6aS)-3a-(5-ethyl-1,2,4-oxadiazol-3-yl)hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3-cyclohexyl-1-propanone
SB55-1116 Screening compound: 1-[(3aS,6aS)-3a-(5-ethyl-1,2,4-oxadiazol-3-yl)hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3-cyclohexyl-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB55-1116
1-[(3aS,6aS)-3a-(5-ethyl-1,2,4-oxadiazol-3-yl)hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3-cyclohexyl-1-propanone

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

SB55-1116

Molecular Formula

C20H31N3O2 (C20 H31 N3 O2)

Compound Name

1-[(3aS,6aS)-3a-(5-ethyl-1,2,4-oxadiazol-3-yl)hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3-cyclohexyl-1-propanone

IUPAC name

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

SMILES

CCc1nc([C@@](CCC2)(C3)[C@@H]2CN3C(CCC2CCCCC2)=O)no1

InChI

InChI=1S/C20H31N3O2/c1-2-17-21-19(22-25-17)20-12-6-9-16(20)13-23(14-20)18(24)11-10-15-7-4-3-5-8-15/h15-16H,2-14H2,1H3/t16-,20+/m1/s1

InChI Key

ZHXZTFLWYTVRDU-UZLBHIALSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.405

Distribution Coefficient, logD

4.405

Water Solubility, LogSw

-4.18

Polar Surface Area

48.414

Acid Dissociation Constant (pKa)

24.22

Base Dissociation Constant (pKb)

-0.14

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

85.00

SB55-1116 in Drug Discovery

Included in Screening Libraries

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

GABA Library (7115 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with SB55-1116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB55-1116?
Check Price and Availability of SB55-1116, 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 SB55-1116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB55-1116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB55-1116
  • 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 SB55-1116 available by request