SB75-0259 Screening compound: N~2~-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(methylsulfonyl)octahydrocyclopenta[c]pyrrol-5-yl]-5-methyl-2-pyrazinecarboxamide

SB75-0259 Screening compound: N~2~-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(methylsulfonyl)octahydrocyclopenta[c]pyrrol-5-yl]-5-methyl-2-pyrazinecarboxamide
SB75-0259 Screening compound: N~2~-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(methylsulfonyl)octahydrocyclopenta[c]pyrrol-5-yl]-5-methyl-2-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB75-0259
N~2~-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(methylsulfonyl)octahydrocyclopenta[c]pyrrol-5-yl]-5-methyl-2-pyrazinecarboxamide

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

SB75-0259

Molecular Formula

C17H22N6O4S (C17 H22 N6 O4 S)

Compound Name

N~2~-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(methylsulfonyl)octahydrocyclopenta[c]pyrrol-5-yl]-5-methyl-2-pyrazinecarboxamide

IUPAC name

N-[(3aR5R6aR)-2-methanesulfonyl-3a-(3-methyl-124-oxadiazol-5-yl)-octahydrocyclopenta[c]pyrrol-5-yl]-5-methylpyrazine-2-carboxamide

SMILES

Cc1noc([C@@](C[C@@H](C2)NC(c3ncc(C)nc3)=O)(C3)[C@@H]2CN3S(C)(=O)=O)n1

InChI

InChI=1S/C17H22N6O4S/c1-10-6-19-14(7-18-10)15(24)21-13-4-12-8-23(28(3,25)26)9-17(12,5-13)16-20-11(2)22-27-16/h6-7,12-13H,4-5,8-9H2,1-3H3,(H,21,24)/t12-,13+,17+/m1/s1

InChI Key

HCVOTKWGNCDASJ-IGCXYCKISA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.47

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.115

Distribution Coefficient, logD

0.115

Water Solubility, LogSw

-2.15

Polar Surface Area

105.551

Acid Dissociation Constant (pKa)

12.60

Base Dissociation Constant (pKb)

-0.08

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

58.82

SB75-0259 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SB75-0259 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB75-0259?
Check Price and Availability of SB75-0259, 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 SB75-0259 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB75-0259
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB75-0259
  • 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 SB75-0259 available by request