SB75-0047 Screening compound: N~1~-[(3aR,5R,6aR)-2-(2-methoxyacetyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-3-methylbutanamide

SB75-0047 Screening compound: N~1~-[(3aR,5R,6aR)-2-(2-methoxyacetyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-3-methylbutanamide
SB75-0047 Screening compound: N~1~-[(3aR,5R,6aR)-2-(2-methoxyacetyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB75-0047
N~1~-[(3aR,5R,6aR)-2-(2-methoxyacetyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-3-methylbutanamide

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

SB75-0047

Molecular Formula

C18H28N4O4 (C18 H28 N4 O4)

Compound Name

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

IUPAC name

N-[(3aR5R6aR)-2-(2-methoxyacetyl)-3a-(3-methyl-124-oxadiazol-5-yl)-octahydrocyclopenta[c]pyrrol-5-yl]-3-methylbutanamide

SMILES

CC(C)CC(N[C@H](C[C@H]1CN(C2)C(COC)=O)C[C@]12c1nc(C)no1)=O

InChI

InChI=1S/C18H28N4O4/c1-11(2)5-15(23)20-14-6-13-8-22(16(24)9-25-4)10-18(13,7-14)17-19-12(3)21-26-17/h11,13-14H,5-10H2,1-4H3,(H,20,23)/t13-,14+,18+/m1/s1

InChI Key

OKWGRTZAGGFKFE-GLJUWKHASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.900

Distribution Coefficient, logD

0.900

Water Solubility, LogSw

-1.42

Polar Surface Area

80.869

Acid Dissociation Constant (pKa)

14.30

Base Dissociation Constant (pKb)

6.47

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

77.78

SB75-0047 in Drug Discovery

Included in Screening Libraries

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 SB75-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB75-0047?
Check Price and Availability of SB75-0047, 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 SB75-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB75-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB75-0047
  • 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 SB75-0047 available by request