SB55-0968 Screening compound: (3aS)-6a-(5-phenyl-1,2,4-oxadiazol-3-yl)tetrahydrocyclopenta[c]pyrrol-2(1H,3H)-yl butyl sulfone

SB55-0968 Screening compound: (3aS)-6a-(5-phenyl-1,2,4-oxadiazol-3-yl)tetrahydrocyclopenta[c]pyrrol-2(1H,3H)-yl butyl sulfone
SB55-0968 Screening compound: (3aS)-6a-(5-phenyl-1,2,4-oxadiazol-3-yl)tetrahydrocyclopenta[c]pyrrol-2(1H,3H)-yl butyl sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB55-0968
(3aS)-6a-(5-phenyl-1,2,4-oxadiazol-3-yl)tetrahydrocyclopenta[c]pyrrol-2(1H,3H)-yl butyl sulfone

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

SB55-0968

Molecular Formula

C19H25N3O3S (C19 H25 N3 O3 S)

Compound Name

(3aS)-6a-(5-phenyl-1,2,4-oxadiazol-3-yl)tetrahydrocyclopenta[c]pyrrol-2(1H,3H)-yl butyl sulfone

IUPAC name

3-[(3aS6aS)-2-(butane-1-sulfonyl)-octahydrocyclopenta[c]pyrrol-3a-yl]-5-phenyl-124-oxadiazole

SMILES

CCCCS(N(C[C@@H]1CCC2)C[C@@]12c1noc(-c2ccccc2)n1)(=O)=O

InChI

InChI=1S/C19H25N3O3S/c1-2-3-12-26(23,24)22-13-16-10-7-11-19(16,14-22)18-20-17(25-21-18)15-8-5-4-6-9-15/h4-6,8-9,16H,2-3,7,10-14H2,1H3/t16-,19+/m1/s1

InChI Key

CUSQPQFRIZXNQE-APWZRJJASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.842

Distribution Coefficient, logD

3.842

Water Solubility, LogSw

-3.79

Polar Surface Area

64.040

Acid Dissociation Constant (pKa)

22.19

Base Dissociation Constant (pKb)

-3.43

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

57.90

SB55-0968 in Drug Discovery

Included in Screening Libraries

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 SB55-0968 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB55-0968?
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What is the minimum amount of SB55-0968 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB55-0968
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB55-0968
  • 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 SB55-0968 available by request