SB75-1439 Screening compound: N'-[(3aR,5R,6aR)-2-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-N,N-dimethylsulfamide

SB75-1439 Screening compound: N'-[(3aR,5R,6aR)-2-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-N,N-dimethylsulfamide
SB75-1439 Screening compound: N'-[(3aR,5R,6aR)-2-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-N,N-dimethylsulfamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB75-1439
N'-[(3aR,5R,6aR)-2-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-N,N-dimethylsulfamide

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

SB75-1439

Molecular Formula

C19H27N5O3S (C19 H27 N5 O3 S)

Compound Name

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

IUPAC name

{[(3aR5R6aR)-2-benzyl-3a-(3-methyl-124-oxadiazol-5-yl)-octahydrocyclopenta[c]pyrrol-5-yl]sulfamoyl}dimethylamine

SMILES

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

InChI

InChI=1S/C19H27N5O3S/c1-14-20-18(27-21-14)19-10-17(22-28(25,26)23(2)3)9-16(19)12-24(13-19)11-15-7-5-4-6-8-15/h4-8,16-17,22H,9-13H2,1-3H3/t16-,17-,19+/m1/s1

InChI Key

FQMUMGRAGGBKLS-LMMKCTJWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.856

Distribution Coefficient, logD

-0.863

Water Solubility, LogSw

-2.38

Polar Surface Area

81.978

Acid Dissociation Constant (pKa)

12.02

Base Dissociation Constant (pKb)

10.12

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

57.89

SB75-1439 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 SB75-1439 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB75-1439?
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What is the minimum amount of SB75-1439 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB75-1439
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB75-1439
  • 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 SB75-1439 available by request