T990-2393 Screening compound: 1-isopentyl-3-(4-phenethylpiperazino)-2-pyrrolidinone

T990-2393 Screening compound: 1-isopentyl-3-(4-phenethylpiperazino)-2-pyrrolidinone
T990-2393 Screening compound: 1-isopentyl-3-(4-phenethylpiperazino)-2-pyrrolidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound T990-2393
1-isopentyl-3-(4-phenethylpiperazino)-2-pyrrolidinone

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

T990-2393

Molecular Formula

C21H33N3O (C21 H33 N3 O)

Compound Name

1-isopentyl-3-(4-phenethylpiperazino)-2-pyrrolidinone

IUPAC name

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

SMILES

CC(C)CCN(CCC1N2CCN(CCc3ccccc3)CC2)C1=O

InChI

InChI=1S/C21H33N3O/c1-18(2)8-12-24-13-10-20(21(24)25)23-16-14-22(15-17-23)11-9-19-6-4-3-5-7-19/h3-7,18,20H,8-17H2,1-2H3/t20-/m0/s1

InChI Key

VSDXQQFWNYNUQA-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD29018706

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.979

Distribution Coefficient, logD

2.867

Water Solubility, LogSw

-3.21

Polar Surface Area

23.550

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

6.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

T990-2393 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with T990-2393 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T990-2393?
Check Price and Availability of T990-2393, 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 T990-2393 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T990-2393
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T990-2393
  • 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 T990-2393 available by request