T040-0654 Screening compound: N-(1-benzylpiperidin-4-yl)-3-[2-(diethylamino)pyridin-4-yl]propanamide

T040-0654 Screening compound: N-(1-benzylpiperidin-4-yl)-3-[2-(diethylamino)pyridin-4-yl]propanamide
T040-0654 Screening compound: N-(1-benzylpiperidin-4-yl)-3-[2-(diethylamino)pyridin-4-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T040-0654
N-(1-benzylpiperidin-4-yl)-3-[2-(diethylamino)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

T040-0654

Molecular Formula

C24H34N4O (C24 H34 N4 O)

Compound Name

N-(1-benzylpiperidin-4-yl)-3-[2-(diethylamino)pyridin-4-yl]propanamide

IUPAC name

N-(1-benzylpiperidin-4-yl)-3-[2-(diethylamino)pyridin-4-yl]propanamide

SMILES

CCN(CC)c1nccc(CCC(NC2CCN(Cc3ccccc3)CC2)=O)c1

InChI

InChI=1S/C24H34N4O/c1-3-28(4-2)23-18-20(12-15-25-23)10-11-24(29)26-22-13-16-27(17-14-22)19-21-8-6-5-7-9-21/h5-9,12,15,18,22H,3-4,10-11,13-14,16-17,19H2,1-2H3,(H,26,29)

InChI Key

RMLYTLGIETXLEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618425

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.539

Distribution Coefficient, logD

1.981

Water Solubility, LogSw

-3.66

Polar Surface Area

38.952

Acid Dissociation Constant (pKa)

15.73

Base Dissociation Constant (pKb)

8.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

T040-0654 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 T040-0654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T040-0654?
Check Price and Availability of T040-0654, 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 T040-0654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T040-0654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T040-0654
  • 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 T040-0654 available by request