SB75-1302 Screening compound: N~1~-{(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(1-phenylcyclopropyl)carbonyl]octahydrocyclopenta[c]pyrrol-5-yl}-1-ethanesulfonamide

SB75-1302 Screening compound: N~1~-{(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(1-phenylcyclopropyl)carbonyl]octahydrocyclopenta[c]pyrrol-5-yl}-1-ethanesulfonamide
SB75-1302 Screening compound: N~1~-{(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(1-phenylcyclopropyl)carbonyl]octahydrocyclopenta[c]pyrrol-5-yl}-1-ethanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB75-1302
N~1~-{(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(1-phenylcyclopropyl)carbonyl]octahydrocyclopenta[c]pyrrol-5-yl}-1-ethanesulfonamide

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

SB75-1302

Molecular Formula

C22H28N4O4S (C22 H28 N4 O4 S)

Compound Name

N~1~-{(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(1-phenylcyclopropyl)carbonyl]octahydrocyclopenta[c]pyrrol-5-yl}-1-ethanesulfonamide

IUPAC name

N-[(3aR5R6aR)-3a-(3-methyl-124-oxadiazol-5-yl)-2-(1-phenylcyclopropanecarbonyl)-octahydrocyclopenta[c]pyrrol-5-yl]ethane-1-sulfonamide

SMILES

CCS(N[C@H](C[C@H]1CN(C2)C(C3(CC3)c3ccccc3)=O)C[C@]12c1nc(C)no1)(=O)=O

InChI

InChI=1S/C22H28N4O4S/c1-3-31(28,29)25-18-11-17-13-26(14-22(17,12-18)19-23-15(2)24-30-19)20(27)21(9-10-21)16-7-5-4-6-8-16/h4-8,17-18,25H,3,9-14H2,1-2H3/t17-,18-,22+/m1/s1

InChI Key

LECMRKVHLBQNIM-HMFYCAOWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.158

Distribution Coefficient, logD

2.158

Water Solubility, LogSw

-2.66

Polar Surface Area

92.351

Acid Dissociation Constant (pKa)

11.82

Base Dissociation Constant (pKb)

7.21

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

59.09

SB75-1302 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 SB75-1302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB75-1302?
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What is the minimum amount of SB75-1302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB75-1302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB75-1302
  • 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 SB75-1302 available by request