SB75-0198 Screening compound: N~5~-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(methylsulfonyl)octahydrocyclopenta[c]pyrrol-5-yl]-5-pyrimidinecarboxamide

SB75-0198 Screening compound: N~5~-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(methylsulfonyl)octahydrocyclopenta[c]pyrrol-5-yl]-5-pyrimidinecarboxamide
SB75-0198 Screening compound: N~5~-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(methylsulfonyl)octahydrocyclopenta[c]pyrrol-5-yl]-5-pyrimidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB75-0198
N~5~-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(methylsulfonyl)octahydrocyclopenta[c]pyrrol-5-yl]-5-pyrimidinecarboxamide

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

SB75-0198

Molecular Formula

C16H20N6O4S (C16 H20 N6 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1noc([C@@](C[C@@H](C2)NC(c3cncnc3)=O)(C3)[C@@H]2CN3S(C)(=O)=O)n1

InChI

InChI=1S/C16H20N6O4S/c1-10-19-15(26-21-10)16-4-13(20-14(23)11-5-17-9-18-6-11)3-12(16)7-22(8-16)27(2,24)25/h5-6,9,12-13H,3-4,7-8H2,1-2H3,(H,20,23)/t12-,13+,16+/m1/s1

InChI Key

QUMVFCBNSCVJKX-WWGRRREGSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.44

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

-0.815

Distribution Coefficient, logD

-0.815

Water Solubility, LogSw

-1.58

Polar Surface Area

108.219

Acid Dissociation Constant (pKa)

12.50

Base Dissociation Constant (pKb)

-0.25

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

56.25

SB75-0198 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 SB75-0198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB75-0198?
Check Price and Availability of SB75-0198, 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 SB75-0198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB75-0198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB75-0198
  • 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 SB75-0198 available by request