SB75-1469 Screening compound: N~1~-[(3aR,5R,6aR)-2-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-2-(benzyloxy)acetamide

SB75-1469 Screening compound: N~1~-[(3aR,5R,6aR)-2-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-2-(benzyloxy)acetamide
SB75-1469 Screening compound: N~1~-[(3aR,5R,6aR)-2-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-2-(benzyloxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB75-1469
N~1~-[(3aR,5R,6aR)-2-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-2-(benzyloxy)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

SB75-1469

Molecular Formula

C26H30N4O3 (C26 H30 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1noc([C@]2(C[C@@H](C3)NC(COCc4ccccc4)=O)[C@@H]3CN(Cc3ccccc3)C2)n1

InChI

InChI=1S/C26H30N4O3/c1-19-27-25(33-29-19)26-13-23(28-24(31)17-32-16-21-10-6-3-7-11-21)12-22(26)15-30(18-26)14-20-8-4-2-5-9-20/h2-11,22-23H,12-18H2,1H3,(H,28,31)/t22-,23-,26+/m1/s1

InChI Key

WLIHAUAVSAVHTR-PLXFJCCSSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.130

Distribution Coefficient, logD

-0.016

Water Solubility, LogSw

-3.09

Polar Surface Area

67.948

Acid Dissociation Constant (pKa)

13.80

Base Dissociation Constant (pKb)

10.55

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

42.31

SB75-1469 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 SB75-1469 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB75-1469?
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What is the minimum amount of SB75-1469 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB75-1469
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB75-1469
  • 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 SB75-1469 available by request