SB75-0093 Screening compound: N~1~-[(3aR,5R,6aR)-2-isobutyryl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-1-cyclopentanecarboxamide

SB75-0093 Screening compound: N~1~-[(3aR,5R,6aR)-2-isobutyryl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-1-cyclopentanecarboxamide
SB75-0093 Screening compound: N~1~-[(3aR,5R,6aR)-2-isobutyryl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-1-cyclopentanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB75-0093
N~1~-[(3aR,5R,6aR)-2-isobutyryl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-1-cyclopentanecarboxamide

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

SB75-0093

Molecular Formula

C20H30N4O3 (C20 H30 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)C(N(C[C@@H]1C[C@H](C2)NC(C3CCCC3)=O)C[C@@]12c1nc(C)no1)=O

InChI

InChI=1S/C20H30N4O3/c1-12(2)18(26)24-10-15-8-16(22-17(25)14-6-4-5-7-14)9-20(15,11-24)19-21-13(3)23-27-19/h12,14-16H,4-11H2,1-3H3,(H,22,25)/t15-,16-,20+/m1/s1

InChI Key

ZWSVQDOCENPMSD-QINHECLXSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.323

Distribution Coefficient, logD

2.323

Water Solubility, LogSw

-2.40

Polar Surface Area

73.473

Acid Dissociation Constant (pKa)

14.05

Base Dissociation Constant (pKb)

7.49

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

80.00

SB75-0093 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB75-0093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB75-0093?
Check Price and Availability of SB75-0093, 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 SB75-0093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB75-0093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB75-0093
  • 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 SB75-0093 available by request