SB18-0916 Screening compound: N-[(3S,5S)-1-[(1-methylcyclopropyl)carbonyl]-5-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]methanesulfonamide

SB18-0916 Screening compound: N-[(3S,5S)-1-[(1-methylcyclopropyl)carbonyl]-5-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]methanesulfonamide
SB18-0916 Screening compound: N-[(3S,5S)-1-[(1-methylcyclopropyl)carbonyl]-5-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB18-0916
N-[(3S,5S)-1-[(1-methylcyclopropyl)carbonyl]-5-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]methanesulfonamide

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

SB18-0916

Molecular Formula

C18H23N5O3S (C18 H23 N5 O3 S)

Compound Name

N-[(3S,5S)-1-[(1-methylcyclopropyl)carbonyl]-5-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]methanesulfonamide

IUPAC name

N-[(3S5S)-1-(1-methylcyclopropanecarbonyl)-5-(3-phenyl-1H-124-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide

SMILES

CC1(CC1)C(N(C[C@H](C1)NS(C)(=O)=O)[C@@H]1c1nc(-c2ccccc2)n[nH]1)=O

InChI

InChI=1S/C18H23N5O3S/c1-18(8-9-18)17(24)23-11-13(22-27(2,25)26)10-14(23)16-19-15(20-21-16)12-6-4-3-5-7-12/h3-7,13-14,22H,8-11H2,1-2H3,(H,19,20,21)/t13-,14+/m0/s1

InChI Key

BRIGRZQVGXOJMT-UONOGXRCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.410

Distribution Coefficient, logD

1.404

Water Solubility, LogSw

-2.28

Polar Surface Area

93.639

Acid Dissociation Constant (pKa)

7.76

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

SB18-0916 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with SB18-0916 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB18-0916?
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What is the minimum amount of SB18-0916 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB18-0916
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB18-0916
  • 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 SB18-0916 available by request