T833-2355 Screening compound: 1-[3-ethyl-1-(methylsulfonyl)tetrahydro-1H-pyrrol-3-yl]-4-[(3-fluorobenzyl)sulfonyl]piperazine

T833-2355 Screening compound: 1-[3-ethyl-1-(methylsulfonyl)tetrahydro-1H-pyrrol-3-yl]-4-[(3-fluorobenzyl)sulfonyl]piperazine
T833-2355 Screening compound: 1-[3-ethyl-1-(methylsulfonyl)tetrahydro-1H-pyrrol-3-yl]-4-[(3-fluorobenzyl)sulfonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound T833-2355
1-[3-ethyl-1-(methylsulfonyl)tetrahydro-1H-pyrrol-3-yl]-4-[(3-fluorobenzyl)sulfonyl]piperazine

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

T833-2355

Molecular Formula

C18H28FN3O4S2 (C18 H28 FN3 O4 S2)

Compound Name

1-[3-ethyl-1-(methylsulfonyl)tetrahydro-1H-pyrrol-3-yl]-4-[(3-fluorobenzyl)sulfonyl]piperazine

IUPAC name

1-(3-ethyl-1-methanesulfonylpyrrolidin-3-yl)-4-[(3-fluorophenyl)methanesulfonyl]piperazine

SMILES

CCC(CC1)(CN1S(C)(=O)=O)N(CC1)CCN1S(Cc1cc(F)ccc1)(=O)=O

InChI

InChI=1S/C18H28FN3O4S2/c1-3-18(7-8-22(15-18)27(2,23)24)20-9-11-21(12-10-20)28(25,26)14-16-5-4-6-17(19)13-16/h4-6,13H,3,7-12,14-15H2,1-2H3/t18-/m0/s1

InChI Key

SPQWXQZZEFCODG-SFHVURJKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.57

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.878

Distribution Coefficient, logD

1.878

Water Solubility, LogSw

-2.40

Polar Surface Area

66.467

Acid Dissociation Constant (pKa)

20.21

Base Dissociation Constant (pKb)

3.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

T833-2355 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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

GPCR Targeted Library (31838 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
Targets:
  • GPCR
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T833-2355 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T833-2355?
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What is the minimum amount of T833-2355 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T833-2355
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T833-2355
  • 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 T833-2355 available by request