SB75-0239 Screening compound: N~1~-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(methylsulfonyl)octahydrocyclopenta[c]pyrrol-5-yl]-2-(1H-indol-3-yl)acetamide

SB75-0239 Screening compound: N~1~-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(methylsulfonyl)octahydrocyclopenta[c]pyrrol-5-yl]-2-(1H-indol-3-yl)acetamide
SB75-0239 Screening compound: N~1~-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(methylsulfonyl)octahydrocyclopenta[c]pyrrol-5-yl]-2-(1H-indol-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB75-0239
N~1~-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(methylsulfonyl)octahydrocyclopenta[c]pyrrol-5-yl]-2-(1H-indol-3-yl)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

SB75-0239

Molecular Formula

C21H25N5O4S (C21 H25 N5 O4 S)

Compound Name

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

IUPAC name

N-[(3aR5R6aR)-2-methanesulfonyl-3a-(3-methyl-124-oxadiazol-5-yl)-octahydrocyclopenta[c]pyrrol-5-yl]-2-(1H-indol-3-yl)acetamide

SMILES

Cc1noc([C@@](C[C@@H](C2)NC(Cc3c[nH]c4c3cccc4)=O)(C3)[C@@H]2CN3S(C)(=O)=O)n1

InChI

InChI=1S/C21H25N5O4S/c1-13-23-20(30-25-13)21-9-16(8-15(21)11-26(12-21)31(2,28)29)24-19(27)7-14-10-22-18-6-4-3-5-17(14)18/h3-6,10,15-16,22H,7-9,11-12H2,1-2H3,(H,24,27)/t15-,16+,21+/m1/s1

InChI Key

AITUZKUXFWIMLR-XFQAVAEZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.503

Distribution Coefficient, logD

1.503

Water Solubility, LogSw

-2.47

Polar Surface Area

97.127

Acid Dissociation Constant (pKa)

14.18

Base Dissociation Constant (pKb)

2.56

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

47.62

SB75-0239 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

KRAS-Targeted Library (16000 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SB75-0239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB75-0239?
Check Price and Availability of SB75-0239, 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 SB75-0239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB75-0239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB75-0239
  • 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 SB75-0239 available by request