SB55-1125 Screening compound: [(3aS,6aS)-3a-(5-ethyl-1,2,4-oxadiazol-3-yl)hexahydrocyclopenta[c]pyrrol-2(1H)-yl](3,5-dimethylphenyl)methanone

SB55-1125 Screening compound: [(3aS,6aS)-3a-(5-ethyl-1,2,4-oxadiazol-3-yl)hexahydrocyclopenta[c]pyrrol-2(1H)-yl](3,5-dimethylphenyl)methanone
SB55-1125 Screening compound: [(3aS,6aS)-3a-(5-ethyl-1,2,4-oxadiazol-3-yl)hexahydrocyclopenta[c]pyrrol-2(1H)-yl](3,5-dimethylphenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB55-1125
[(3aS,6aS)-3a-(5-ethyl-1,2,4-oxadiazol-3-yl)hexahydrocyclopenta[c]pyrrol-2(1H)-yl](3,5-dimethylphenyl)methanone

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

SB55-1125

Molecular Formula

C20H25N3O2 (C20 H25 N3 O2)

Compound Name

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

IUPAC name

3-[(3aS6aS)-2-(35-dimethylbenzoyl)-octahydrocyclopenta[c]pyrrol-3a-yl]-5-ethyl-124-oxadiazole

SMILES

CCc1nc([C@@](CCC2)(C3)[C@@H]2CN3C(c2cc(C)cc(C)c2)=O)no1

InChI

InChI=1S/C20H25N3O2/c1-4-17-21-19(22-25-17)20-7-5-6-16(20)11-23(12-20)18(24)15-9-13(2)8-14(3)10-15/h8-10,16H,4-7,11-12H2,1-3H3/t16-,20+/m1/s1

InChI Key

SDDRRJSSBNFBSN-UZLBHIALSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.44

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

3.897

Distribution Coefficient, logD

3.897

Water Solubility, LogSw

-3.74

Polar Surface Area

48.749

Acid Dissociation Constant (pKa)

25.45

Base Dissociation Constant (pKb)

-1.10

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.00

SB55-1125 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 SB55-1125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB55-1125?
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What is the minimum amount of SB55-1125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB55-1125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB55-1125
  • 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 SB55-1125 available by request