T833-2514 Screening compound: 1-(3-ethyl-3-piperazino-1-pyrrolidinyl)-1-propanone

T833-2514 Screening compound: 1-(3-ethyl-3-piperazino-1-pyrrolidinyl)-1-propanone
T833-2514 Screening compound: 1-(3-ethyl-3-piperazino-1-pyrrolidinyl)-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound T833-2514
1-(3-ethyl-3-piperazino-1-pyrrolidinyl)-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

T833-2514

Molecular Formula

C13H25N3O (C13 H25 N3 O)

Compound Name

1-(3-ethyl-3-piperazino-1-pyrrolidinyl)-1-propanone

IUPAC name

1-[3-ethyl-3-(piperazin-1-yl)pyrrolidin-1-yl]propan-1-one

SMILES

CCC(CC1)(CN1C(CC)=O)N1CCNCC1

InChI

InChI=1S/C13H25N3O/c1-3-12(17)15-8-5-13(4-2,11-15)16-9-6-14-7-10-16/h14H,3-11H2,1-2H3/t13-/m0/s1

InChI Key

UIGGLMHOGBLDLC-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD30463453

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

239.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.767

Distribution Coefficient, logD

0.056

Water Solubility, LogSw

-0.64

Polar Surface Area

31.932

Acid Dissociation Constant (pKa)

24.10

Base Dissociation Constant (pKb)

8.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

92.31

T833-2514 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Ligand-Gated Ion Channels Library (3887 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

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Eye
  • Cancer
Targets:
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with T833-2514 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T833-2514?
Check Price and Availability of T833-2514, 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 T833-2514 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T833-2514
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T833-2514
  • 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 T833-2514 available by request