T833-2029 Screening compound: 1-{4-[3-ethyl-1-(methylsulfonyl)tetrahydro-1H-pyrrol-3-yl]piperazino}-2-(3-methoxyphenyl)-1-ethanone

T833-2029 Screening compound: 1-{4-[3-ethyl-1-(methylsulfonyl)tetrahydro-1H-pyrrol-3-yl]piperazino}-2-(3-methoxyphenyl)-1-ethanone
T833-2029 Screening compound: 1-{4-[3-ethyl-1-(methylsulfonyl)tetrahydro-1H-pyrrol-3-yl]piperazino}-2-(3-methoxyphenyl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound T833-2029
1-{4-[3-ethyl-1-(methylsulfonyl)tetrahydro-1H-pyrrol-3-yl]piperazino}-2-(3-methoxyphenyl)-1-ethanone

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

T833-2029

Molecular Formula

C20H31N3O4S (C20 H31 N3 O4 S)

Compound Name

1-{4-[3-ethyl-1-(methylsulfonyl)tetrahydro-1H-pyrrol-3-yl]piperazino}-2-(3-methoxyphenyl)-1-ethanone

IUPAC name

1-[4-(3-ethyl-1-methanesulfonylpyrrolidin-3-yl)piperazin-1-yl]-2-(3-methoxyphenyl)ethan-1-one

SMILES

CCC(CC1)(CN1S(C)(=O)=O)N(CC1)CCN1C(Cc1cc(OC)ccc1)=O

InChI

InChI=1S/C20H31N3O4S/c1-4-20(8-9-23(16-20)28(3,25)26)22-12-10-21(11-13-22)19(24)15-17-6-5-7-18(14-17)27-2/h5-7,14H,4,8-13,15-16H2,1-3H3/t20-/m0/s1

InChI Key

DPVWFLPXJWHCFE-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD29018695

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.988

Distribution Coefficient, logD

1.987

Water Solubility, LogSw

-2.51

Polar Surface Area

58.526

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

4.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.00

T833-2029 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Targets:
  • GPCR
  • Ion Channels
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T833-2029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T833-2029?
Check Price and Availability of T833-2029, 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 T833-2029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T833-2029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T833-2029
  • 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 T833-2029 available by request