T040-0685 Screening compound: 3-[2-(diethylamino)-4-pyridyl]-1-[4-(2-furylcarbonyl)piperazino]-1-propanone

T040-0685 Screening compound: 3-[2-(diethylamino)-4-pyridyl]-1-[4-(2-furylcarbonyl)piperazino]-1-propanone
T040-0685 Screening compound: 3-[2-(diethylamino)-4-pyridyl]-1-[4-(2-furylcarbonyl)piperazino]-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound T040-0685
3-[2-(diethylamino)-4-pyridyl]-1-[4-(2-furylcarbonyl)piperazino]-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

T040-0685

Molecular Formula

C21H28N4O3 (C21 H28 N4 O3)

Compound Name

3-[2-(diethylamino)-4-pyridyl]-1-[4-(2-furylcarbonyl)piperazino]-1-propanone

IUPAC name

n/a

SMILES

CCN(CC)c1nccc(CCC(N(CC2)CCN2C(c2ccco2)=O)=O)c1

InChI

InChI=1S/C21H28N4O3/c1-3-23(4-2)19-16-17(9-10-22-19)7-8-20(26)24-11-13-25(14-12-24)21(27)18-6-5-15-28-18/h5-6,9-10,15-16H,3-4,7-8,11-14H2,1-2H3

InChI Key

QGGMINHWQQRDJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618442

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.092

Distribution Coefficient, logD

1.872

Water Solubility, LogSw

-2.43

Polar Surface Area

52.641

Acid Dissociation Constant (pKa)

23.39

Base Dissociation Constant (pKb)

7.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

T040-0685 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

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 T040-0685 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T040-0685?
Check Price and Availability of T040-0685, 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 T040-0685 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T040-0685
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T040-0685
  • 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 T040-0685 available by request