SB18-0925 Screening compound: N-[(3S,5S)-1-(4-chlorobenzyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]methanesulfonamide

SB18-0925 Screening compound: N-[(3S,5S)-1-(4-chlorobenzyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]methanesulfonamide
SB18-0925 Screening compound: N-[(3S,5S)-1-(4-chlorobenzyl)-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 SB18-0925
N-[(3S,5S)-1-(4-chlorobenzyl)-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

SB18-0925

Molecular Formula

C20H22ClN5O2S (C20 H22 ClN5 O2 S)

Compound Name

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

IUPAC name

N-[(3S5S)-1-[(4-chlorophenyl)methyl]-5-(3-phenyl-1H-124-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide

SMILES

CS(N[C@@H](C1)CN(Cc(cc2)ccc2Cl)[C@@H]1c1nc(-c2ccccc2)n[nH]1)(=O)=O

InChI

InChI=1S/C20H22ClN5O2S/c1-29(27,28)25-17-11-18(26(13-17)12-14-7-9-16(21)10-8-14)20-22-19(23-24-20)15-5-3-2-4-6-15/h2-10,17-18,25H,11-13H2,1H3,(H,22,23,24)/t17-,18+/m1/s1

InChI Key

APESGYLKUBUKQJ-MSOLQXFVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.95

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.329

Distribution Coefficient, logD

3.323

Water Solubility, LogSw

-4.01

Polar Surface Area

80.366

Acid Dissociation Constant (pKa)

6.84

Base Dissociation Constant (pKb)

1.84

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.00

SB18-0925 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SB18-0925 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB18-0925?
Check Price and Availability of SB18-0925, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of SB18-0925 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB18-0925
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB18-0925
  • 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 SB18-0925 available by request