SB75-0094 Screening compound: N~1~-[(3aR,5R,6aR)-2-isobutyryl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-2-(3-pyridyl)acetamide

SB75-0094 Screening compound: N~1~-[(3aR,5R,6aR)-2-isobutyryl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-2-(3-pyridyl)acetamide
SB75-0094 Screening compound: N~1~-[(3aR,5R,6aR)-2-isobutyryl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-2-(3-pyridyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB75-0094
N~1~-[(3aR,5R,6aR)-2-isobutyryl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-2-(3-pyridyl)acetamide

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

SB75-0094

Molecular Formula

C21H27N5O3 (C21 H27 N5 O3)

Compound Name

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

IUPAC name

N-[(3aR5R6aR)-3a-(3-methyl-124-oxadiazol-5-yl)-2-(2-methylpropanoyl)-octahydrocyclopenta[c]pyrrol-5-yl]-2-(pyridin-3-yl)acetamide

SMILES

CC(C)C(N(C[C@@H]1C[C@H](C2)NC(Cc3cnccc3)=O)C[C@@]12c1nc(C)no1)=O

InChI

InChI=1S/C21H27N5O3/c1-13(2)19(28)26-11-16-8-17(24-18(27)7-15-5-4-6-22-10-15)9-21(16,12-26)20-23-14(3)25-29-20/h4-6,10,13,16-17H,7-9,11-12H2,1-3H3,(H,24,27)/t16-,17+,21+/m1/s1

InChI Key

XWLATQOEQSFOJH-WWMYMODYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.969

Distribution Coefficient, logD

0.967

Water Solubility, LogSw

-1.14

Polar Surface Area

82.219

Acid Dissociation Constant (pKa)

14.15

Base Dissociation Constant (pKb)

4.95

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

57.14

SB75-0094 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 SB75-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB75-0094?
Check Price and Availability of SB75-0094, 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 SB75-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB75-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB75-0094
  • 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 SB75-0094 available by request