T040-0131 Screening compound: N-[3-(4-methylpiperazin-1-yl)propyl]-3-[2-(pyrrolidin-1-yl)pyridin-4-yl]propanamide

T040-0131 Screening compound: N-[3-(4-methylpiperazin-1-yl)propyl]-3-[2-(pyrrolidin-1-yl)pyridin-4-yl]propanamide
T040-0131 Screening compound: N-[3-(4-methylpiperazin-1-yl)propyl]-3-[2-(pyrrolidin-1-yl)pyridin-4-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T040-0131
N-[3-(4-methylpiperazin-1-yl)propyl]-3-[2-(pyrrolidin-1-yl)pyridin-4-yl]propanamide

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

T040-0131

Molecular Formula

C20H33N5O (C20 H33 N5 O)

Compound Name

N-[3-(4-methylpiperazin-1-yl)propyl]-3-[2-(pyrrolidin-1-yl)pyridin-4-yl]propanamide

IUPAC name

N-[3-(4-methylpiperazin-1-yl)propyl]-3-[2-(pyrrolidin-1-yl)pyridin-4-yl]propanamide

SMILES

CN1CCN(CCCNC(CCc2cc(N3CCCC3)ncc2)=O)CC1

InChI

InChI=1S/C20H33N5O/c1-23-13-15-24(16-14-23)10-4-8-22-20(26)6-5-18-7-9-21-19(17-18)25-11-2-3-12-25/h7,9,17H,2-6,8,10-16H2,1H3,(H,22,26)

InChI Key

BZLWOANIEZZULT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618290

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.078

Distribution Coefficient, logD

-0.127

Water Solubility, LogSw

-2.01

Polar Surface Area

44.069

Acid Dissociation Constant (pKa)

15.11

Base Dissociation Constant (pKb)

8.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

70.00

T040-0131 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

GPCR Targeted Library (31838 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with T040-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T040-0131?
Check Price and Availability of T040-0131, 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 T040-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T040-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T040-0131
  • 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 T040-0131 available by request