SB55-0269 Screening compound: [(3aS,6aS)-3a-(5-methyl-1,2,4-oxadiazol-3-yl)hexahydrocyclopenta[c]pyrrol-2(1H)-yl](3-furyl)methanone

SB55-0269 Screening compound: [(3aS,6aS)-3a-(5-methyl-1,2,4-oxadiazol-3-yl)hexahydrocyclopenta[c]pyrrol-2(1H)-yl](3-furyl)methanone
SB55-0269 Screening compound: [(3aS,6aS)-3a-(5-methyl-1,2,4-oxadiazol-3-yl)hexahydrocyclopenta[c]pyrrol-2(1H)-yl](3-furyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB55-0269
[(3aS,6aS)-3a-(5-methyl-1,2,4-oxadiazol-3-yl)hexahydrocyclopenta[c]pyrrol-2(1H)-yl](3-furyl)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

SB55-0269

Molecular Formula

C15H17N3O3 (C15 H17 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1nc([C@@](CCC2)(C3)[C@@H]2CN3C(c2cocc2)=O)no1

InChI

InChI=1S/C15H17N3O3/c1-10-16-14(17-21-10)15-5-2-3-12(15)7-18(9-15)13(19)11-4-6-20-8-11/h4,6,8,12H,2-3,5,7,9H2,1H3/t12-,15+/m1/s1

InChI Key

RGHWGPYSLRYMMF-DOMZBBRYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.796

Distribution Coefficient, logD

1.796

Water Solubility, LogSw

-2.12

Polar Surface Area

56.115

Acid Dissociation Constant (pKa)

25.45

Base Dissociation Constant (pKb)

-1.84

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.33

SB55-0269 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with SB55-0269 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB55-0269?
Check Price and Availability of SB55-0269, 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 SB55-0269 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB55-0269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB55-0269
  • 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 SB55-0269 available by request