SB18-0948 Screening compound: N-[(3S,5S)-1-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-5-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]methanesulfonamide

SB18-0948 Screening compound: N-[(3S,5S)-1-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-5-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]methanesulfonamide
SB18-0948 Screening compound: N-[(3S,5S)-1-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-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 SB18-0948
N-[(3S,5S)-1-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-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

SB18-0948

Molecular Formula

C19H25N7O2S (C19 H25 N7 O2 S)

Compound Name

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

IUPAC name

N-[(3S5S)-1-[(13-dimethyl-1H-pyrazol-5-yl)methyl]-5-(3-phenyl-1H-124-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide

SMILES

Cc1nn(C)c(CN(C[C@H](C2)NS(C)(=O)=O)[C@@H]2c2nc(-c3ccccc3)n[nH]2)c1

InChI

InChI=1S/C19H25N7O2S/c1-13-9-16(25(2)23-13)12-26-11-15(24-29(3,27)28)10-17(26)19-20-18(21-22-19)14-7-5-4-6-8-14/h4-9,15,17,24H,10-12H2,1-3H3,(H,20,21,22)/t15-,17+/m0/s1

InChI Key

BQEGQHCAIYTNDR-DOTOQJQBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.014

Distribution Coefficient, logD

1.008

Water Solubility, LogSw

-2.29

Polar Surface Area

94.169

Acid Dissociation Constant (pKa)

7.31

Base Dissociation Constant (pKb)

3.22

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.10

SB18-0948 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SB18-0948 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB18-0948?
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What is the minimum amount of SB18-0948 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB18-0948
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB18-0948
  • 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 SB18-0948 available by request