SB75-1377 Screening compound: N~1~-[(3aR,5R,6aR)-2-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)carbonyl]-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-1-ethanesulfonamide

SB75-1377 Screening compound: N~1~-[(3aR,5R,6aR)-2-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)carbonyl]-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-1-ethanesulfonamide
SB75-1377 Screening compound: N~1~-[(3aR,5R,6aR)-2-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)carbonyl]-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-1-ethanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB75-1377
N~1~-[(3aR,5R,6aR)-2-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)carbonyl]-3a-(3-methyl-1,2,4-oxadiazol-5-yl)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

SB75-1377

Molecular Formula

C19H28N6O4S (C19 H28 N6 O4 S)

Compound Name

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

IUPAC name

N-[(3aR5R6aR)-2-(1-ethyl-3-methyl-1H-pyrazole-4-carbonyl)-3a-(3-methyl-124-oxadiazol-5-yl)-octahydrocyclopenta[c]pyrrol-5-yl]ethane-1-sulfonamide

SMILES

CCn1nc(C)c(C(N(C[C@@H]2C[C@H](C3)NS(CC)(=O)=O)C[C@@]23c2nc(C)no2)=O)c1

InChI

InChI=1S/C19H28N6O4S/c1-5-25-10-16(12(3)21-25)17(26)24-9-14-7-15(23-30(27,28)6-2)8-19(14,11-24)18-20-13(4)22-29-18/h10,14-15,23H,5-9,11H2,1-4H3/t14-,15-,19+/m1/s1

InChI Key

MCXVZZIMUBQNKP-CLCXKQKWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.614

Distribution Coefficient, logD

0.614

Water Solubility, LogSw

-2.13

Polar Surface Area

106.955

Acid Dissociation Constant (pKa)

11.82

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

68.42

SB75-1377 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 SB75-1377 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB75-1377?
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What is the minimum amount of SB75-1377 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB75-1377
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB75-1377
  • 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 SB75-1377 available by request