SB55-0246 Screening compound: (3aS)-6a-(5-methyl-1,2,4-oxadiazol-3-yl)tetrahydrocyclopenta[c]pyrrol-2(1H,3H)-yl (2-ethylphenyl) sulfone

SB55-0246 Screening compound: (3aS)-6a-(5-methyl-1,2,4-oxadiazol-3-yl)tetrahydrocyclopenta[c]pyrrol-2(1H,3H)-yl (2-ethylphenyl) sulfone
SB55-0246 Screening compound: (3aS)-6a-(5-methyl-1,2,4-oxadiazol-3-yl)tetrahydrocyclopenta[c]pyrrol-2(1H,3H)-yl (2-ethylphenyl) sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB55-0246
(3aS)-6a-(5-methyl-1,2,4-oxadiazol-3-yl)tetrahydrocyclopenta[c]pyrrol-2(1H,3H)-yl (2-ethylphenyl) 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

SB55-0246

Molecular Formula

C18H23N3O3S (C18 H23 N3 O3 S)

Compound Name

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

IUPAC name

3-[(3aS6aS)-2-(2-ethylbenzenesulfonyl)-octahydrocyclopenta[c]pyrrol-3a-yl]-5-methyl-124-oxadiazole

SMILES

CCc(cccc1)c1S(N(C[C@@H]1CCC2)C[C@@]12c1noc(C)n1)(=O)=O

InChI

InChI=1S/C18H23N3O3S/c1-3-14-7-4-5-9-16(14)25(22,23)21-11-15-8-6-10-18(15,12-21)17-19-13(2)24-20-17/h4-5,7,9,15H,3,6,8,10-12H2,1-2H3/t15-,18+/m1/s1

InChI Key

SGAWQOVSPFGXMV-QAPCUYQASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.349

Distribution Coefficient, logD

3.349

Water Solubility, LogSw

-3.26

Polar Surface Area

63.374

Acid Dissociation Constant (pKa)

24.76

Base Dissociation Constant (pKb)

-1.88

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.56

SB55-0246 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 SB55-0246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB55-0246?
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What is the minimum amount of SB55-0246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB55-0246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB55-0246
  • 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 SB55-0246 available by request