SB55-0536 Screening compound: [(3aS,6aS)-3a-(5-isobutyl-1,2,4-oxadiazol-3-yl)hexahydrocyclopenta[c]pyrrol-2(1H)-yl](1-isoquinolyl)methanone

SB55-0536 Screening compound: [(3aS,6aS)-3a-(5-isobutyl-1,2,4-oxadiazol-3-yl)hexahydrocyclopenta[c]pyrrol-2(1H)-yl](1-isoquinolyl)methanone
SB55-0536 Screening compound: [(3aS,6aS)-3a-(5-isobutyl-1,2,4-oxadiazol-3-yl)hexahydrocyclopenta[c]pyrrol-2(1H)-yl](1-isoquinolyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB55-0536
[(3aS,6aS)-3a-(5-isobutyl-1,2,4-oxadiazol-3-yl)hexahydrocyclopenta[c]pyrrol-2(1H)-yl](1-isoquinolyl)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

SB55-0536

Molecular Formula

C23H26N4O2 (C23 H26 N4 O2)

Compound Name

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

IUPAC name

1-[(3aS6aS)-3a-[5-(2-methylpropyl)-124-oxadiazol-3-yl]-octahydrocyclopenta[c]pyrrole-2-carbonyl]isoquinoline

SMILES

CC(C)Cc1nc([C@@](CCC2)(C3)[C@@H]2CN3C(c2nccc3ccccc23)=O)no1

InChI

InChI=1S/C23H26N4O2/c1-15(2)12-19-25-22(26-29-19)23-10-5-7-17(23)13-27(14-23)21(28)20-18-8-4-3-6-16(18)9-11-24-20/h3-4,6,8-9,11,15,17H,5,7,10,12-14H2,1-2H3/t17-,23+/m1/s1

InChI Key

JEHMDMOVQZPYOG-HXOBKFHXSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.249

Distribution Coefficient, logD

4.249

Water Solubility, LogSw

-3.93

Polar Surface Area

58.296

Acid Dissociation Constant (pKa)

25.29

Base Dissociation Constant (pKb)

2.28

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.83

SB55-0536 in Drug Discovery

Included in Screening Libraries

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

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 SB55-0536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB55-0536?
Check Price and Availability of SB55-0536, 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 SB55-0536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB55-0536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB55-0536
  • 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 SB55-0536 available by request