T833-2167 Screening compound: {4-[3-ethyl-1-(methylsulfonyl)tetrahydro-1H-pyrrol-3-yl]piperazino}[3-(2-thienyl)-1H-pyrazol-5-yl]methanone

T833-2167 Screening compound: {4-[3-ethyl-1-(methylsulfonyl)tetrahydro-1H-pyrrol-3-yl]piperazino}[3-(2-thienyl)-1H-pyrazol-5-yl]methanone
T833-2167 Screening compound: {4-[3-ethyl-1-(methylsulfonyl)tetrahydro-1H-pyrrol-3-yl]piperazino}[3-(2-thienyl)-1H-pyrazol-5-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound T833-2167
{4-[3-ethyl-1-(methylsulfonyl)tetrahydro-1H-pyrrol-3-yl]piperazino}[3-(2-thienyl)-1H-pyrazol-5-yl]methanone

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

T833-2167

Molecular Formula

C19H27N5O3S2 (C19 H27 N5 O3 S2)

Compound Name

{4-[3-ethyl-1-(methylsulfonyl)tetrahydro-1H-pyrrol-3-yl]piperazino}[3-(2-thienyl)-1H-pyrazol-5-yl]methanone

IUPAC name

1-(3-ethyl-1-methanesulfonylpyrrolidin-3-yl)-4-[3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]piperazine

SMILES

CCC(CC1)(CN1S(C)(=O)=O)N(CC1)CCN1C(c1cc(-c2cccs2)n[nH]1)=O

InChI

InChI=1S/C19H27N5O3S2/c1-3-19(6-7-24(14-19)29(2,26)27)23-10-8-22(9-11-23)18(25)16-13-15(20-21-16)17-5-4-12-28-17/h4-5,12-13H,3,6-11,14H2,1-2H3,(H,20,21)/t19-/m0/s1

InChI Key

CBEPXIRTIFKAQL-IBGZPJMESA-N

MDL Number (MFCD)

MFCD28995030

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.246

Distribution Coefficient, logD

2.245

Water Solubility, LogSw

-2.85

Polar Surface Area

75.018

Acid Dissociation Constant (pKa)

8.62

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.89

T833-2167 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T833-2167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T833-2167?
Check Price and Availability of T833-2167, 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 T833-2167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T833-2167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T833-2167
  • 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 T833-2167 available by request