T833-2091 Screening compound: 1-{4-[3-ethyl-1-(methylsulfonyl)tetrahydro-1H-pyrrol-3-yl]piperazino}-3-(4-methoxyphenyl)-1-propanone

T833-2091 Screening compound: 1-{4-[3-ethyl-1-(methylsulfonyl)tetrahydro-1H-pyrrol-3-yl]piperazino}-3-(4-methoxyphenyl)-1-propanone
T833-2091 Screening compound: 1-{4-[3-ethyl-1-(methylsulfonyl)tetrahydro-1H-pyrrol-3-yl]piperazino}-3-(4-methoxyphenyl)-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound T833-2091
1-{4-[3-ethyl-1-(methylsulfonyl)tetrahydro-1H-pyrrol-3-yl]piperazino}-3-(4-methoxyphenyl)-1-propanone

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

T833-2091

Molecular Formula

C21H33N3O4S (C21 H33 N3 O4 S)

Compound Name

1-{4-[3-ethyl-1-(methylsulfonyl)tetrahydro-1H-pyrrol-3-yl]piperazino}-3-(4-methoxyphenyl)-1-propanone

IUPAC name

1-[4-(3-ethyl-1-methanesulfonylpyrrolidin-3-yl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one

SMILES

CCC(CC1)(CN1S(C)(=O)=O)N(CC1)CCN1C(CCc(cc1)ccc1OC)=O

InChI

InChI=1S/C21H33N3O4S/c1-4-21(11-12-24(17-21)29(3,26)27)23-15-13-22(14-16-23)20(25)10-7-18-5-8-19(28-2)9-6-18/h5-6,8-9H,4,7,10-17H2,1-3H3/t21-/m0/s1

InChI Key

QQHHSGHYYWHJPZ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD28995012

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.178

Distribution Coefficient, logD

2.177

Water Solubility, LogSw

-2.44

Polar Surface Area

58.526

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

4.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

T833-2091 in Drug Discovery

Included in Screening Libraries

Arginase Targeted Library (2009 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
  • Cancer
  • Hemic and lymphatic
Targets:
  • Others
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T833-2091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T833-2091?
Check Price and Availability of T833-2091, 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 T833-2091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T833-2091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T833-2091
  • 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 T833-2091 available by request