SB75-1086 Screening compound: N~1~-[(3aR,5R,6aR)-2-isobutyryl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-2-phenoxyacetamide

SB75-1086 Screening compound: N~1~-[(3aR,5R,6aR)-2-isobutyryl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-2-phenoxyacetamide
SB75-1086 Screening compound: N~1~-[(3aR,5R,6aR)-2-isobutyryl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-2-phenoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB75-1086
N~1~-[(3aR,5R,6aR)-2-isobutyryl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-2-phenoxyacetamide

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

SB75-1086

Molecular Formula

C22H28N4O4 (C22 H28 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(C)C(N(C[C@@H]1C[C@H](C2)NC(COc3ccccc3)=O)C[C@@]12c1nc(C)no1)=O

InChI

InChI=1S/C22H28N4O4/c1-14(2)20(28)26-11-16-9-17(10-22(16,13-26)21-23-15(3)25-30-21)24-19(27)12-29-18-7-5-4-6-8-18/h4-8,14,16-17H,9-13H2,1-3H3,(H,24,27)/t16-,17+,22+/m1/s1

InChI Key

YSDLJZKKJLWSGH-JLHGSKIFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.49

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

2.270

Distribution Coefficient, logD

2.270

Water Solubility, LogSw

-2.69

Polar Surface Area

80.200

Acid Dissociation Constant (pKa)

14.64

Base Dissociation Constant (pKb)

7.49

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

54.55

SB75-1086 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB75-1086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB75-1086?
Check Price and Availability of SB75-1086, 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 SB75-1086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB75-1086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB75-1086
  • 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 SB75-1086 available by request