T990-3628 Screening compound: 1-isopentyl-3-[4-(2-phenoxyacetyl)piperazino]-2-pyrrolidinone

T990-3628 Screening compound: 1-isopentyl-3-[4-(2-phenoxyacetyl)piperazino]-2-pyrrolidinone
T990-3628 Screening compound: 1-isopentyl-3-[4-(2-phenoxyacetyl)piperazino]-2-pyrrolidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound T990-3628
1-isopentyl-3-[4-(2-phenoxyacetyl)piperazino]-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

T990-3628

Molecular Formula

C21H31N3O3 (C21 H31 N3 O3)

Compound Name

1-isopentyl-3-[4-(2-phenoxyacetyl)piperazino]-2-pyrrolidinone

IUPAC name

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

SMILES

CC(C)CCN(CCC1N(CC2)CCN2C(COc2ccccc2)=O)C1=O

InChI

InChI=1S/C21H31N3O3/c1-17(2)8-10-24-11-9-19(21(24)26)22-12-14-23(15-13-22)20(25)16-27-18-6-4-3-5-7-18/h3-7,17,19H,8-16H2,1-2H3/t19-/m0/s1

InChI Key

JGFZETHPXTWRBR-IBGZPJMESA-N

MDL Number (MFCD)

MFCD29003074

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.950

Distribution Coefficient, logD

1.946

Water Solubility, LogSw

-2.01

Polar Surface Area

43.460

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

5.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

T990-3628 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

GPCR Targeted Library (31838 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 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

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T990-3628 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T990-3628?
Check Price and Availability of T990-3628, 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 T990-3628 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T990-3628
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T990-3628
  • 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 T990-3628 available by request