T990-4858 Screening compound: 3-[4-(3-chlorobenzenesulfonyl)piperazin-1-yl]-1-(2-phenylethyl)pyrrolidin-2-one

T990-4858 Screening compound: 3-[4-(3-chlorobenzenesulfonyl)piperazin-1-yl]-1-(2-phenylethyl)pyrrolidin-2-one
T990-4858 Screening compound: 3-[4-(3-chlorobenzenesulfonyl)piperazin-1-yl]-1-(2-phenylethyl)pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T990-4858
3-[4-(3-chlorobenzenesulfonyl)piperazin-1-yl]-1-(2-phenylethyl)pyrrolidin-2-one

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

T990-4858

Molecular Formula

C22H26ClN3O3S (C22 H26 ClN3 O3 S)

Compound Name

3-[4-(3-chlorobenzenesulfonyl)piperazin-1-yl]-1-(2-phenylethyl)pyrrolidin-2-one

IUPAC name

3-[4-(3-chlorobenzenesulfonyl)piperazin-1-yl]-1-(2-phenylethyl)pyrrolidin-2-one

SMILES

O=C1N(CCc2ccccc2)CCC1N(CC1)CCN1S(c1cccc(Cl)c1)(=O)=O

InChI

InChI=1S/C22H26ClN3O3S/c23-19-7-4-8-20(17-19)30(28,29)26-15-13-24(14-16-26)21-10-12-25(22(21)27)11-9-18-5-2-1-3-6-18/h1-8,17,21H,9-16H2/t21-/m0/s1

InChI Key

RHPIKFKAFIROOA-NRFANRHFSA-N

MDL Number (MFCD)

MFCD28999936

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.99

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.059

Distribution Coefficient, logD

3.059

Water Solubility, LogSw

-3.42

Polar Surface Area

51.279

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

3.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

T990-4858 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)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with T990-4858 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T990-4858?
Check Price and Availability of T990-4858, 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 T990-4858 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T990-4858
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T990-4858
  • 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 T990-4858 available by request