T040-0559 Screening compound: 1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-[2-(morpholin-4-yl)pyridin-4-yl]propan-1-one

T040-0559 Screening compound: 1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-[2-(morpholin-4-yl)pyridin-4-yl]propan-1-one
T040-0559 Screening compound: 1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-[2-(morpholin-4-yl)pyridin-4-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T040-0559
1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-[2-(morpholin-4-yl)pyridin-4-yl]propan-1-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

T040-0559

Molecular Formula

C22H35N5O2 (C22 H35 N5 O2)

Compound Name

1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-[2-(morpholin-4-yl)pyridin-4-yl]propan-1-one

IUPAC name

1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-[2-(morpholin-4-yl)pyridin-4-yl]propan-1-one

SMILES

CN(CC1)CCC1N(CC1)CCN1C(CCc1cc(N2CCOCC2)ncc1)=O

InChI

InChI=1S/C22H35N5O2/c1-24-8-5-20(6-9-24)25-10-12-27(13-11-25)22(28)3-2-19-4-7-23-21(18-19)26-14-16-29-17-15-26/h4,7,18,20H,2-3,5-6,8-17H2,1H3

InChI Key

JNOBKQQCKFYDGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28121204

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.048

Distribution Coefficient, logD

-0.566

Water Solubility, LogSw

-1.79

Polar Surface Area

42.802

Acid Dissociation Constant (pKa)

23.39

Base Dissociation Constant (pKb)

9.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

72.70

T040-0559 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-infective Library (19449 compounds)

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

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Nervous system
  • 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 T040-0559 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T040-0559?
Check Price and Availability of T040-0559, 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 T040-0559 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T040-0559
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T040-0559
  • 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 T040-0559 available by request