T833-2080 Screening compound: 1-{4-[3-ethyl-1-(methylsulfonyl)tetrahydro-1H-pyrrol-3-yl]piperazino}-3-(1H-indol-3-yl)-1-propanone

T833-2080 Screening compound: 1-{4-[3-ethyl-1-(methylsulfonyl)tetrahydro-1H-pyrrol-3-yl]piperazino}-3-(1H-indol-3-yl)-1-propanone
T833-2080 Screening compound: 1-{4-[3-ethyl-1-(methylsulfonyl)tetrahydro-1H-pyrrol-3-yl]piperazino}-3-(1H-indol-3-yl)-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound T833-2080
1-{4-[3-ethyl-1-(methylsulfonyl)tetrahydro-1H-pyrrol-3-yl]piperazino}-3-(1H-indol-3-yl)-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

T833-2080

Molecular Formula

C22H32N4O3S (C22 H32 N4 O3 S)

Compound Name

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

IUPAC name

n/a

SMILES

CCC(CC1)(CN1S(C)(=O)=O)N(CC1)CCN1C(CCc1c[nH]c2c1cccc2)=O

InChI

InChI=1S/C22H32N4O3S/c1-3-22(10-11-26(17-22)30(2,28)29)25-14-12-24(13-15-25)21(27)9-8-18-16-23-20-7-5-4-6-19(18)20/h4-7,16,23H,3,8-15,17H2,1-2H3/t22-/m0/s1

InChI Key

ULTHFBBGTFALCZ-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD28995010

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.249

Distribution Coefficient, logD

2.249

Water Solubility, LogSw

-2.68

Polar Surface Area

60.853

Acid Dissociation Constant (pKa)

17.92

Base Dissociation Constant (pKb)

4.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.10

T833-2080 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

Indole Derivatives (10091 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)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Antiviral
  • Infections
  • Immune system
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T833-2080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T833-2080?
Check Price and Availability of T833-2080, 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 T833-2080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T833-2080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T833-2080
  • 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 T833-2080 available by request