T040-0184 Screening compound: N-[2-(azepan-1-yl)ethyl]-3-[2-(pyrrolidin-1-yl)pyridin-4-yl]propanamide

T040-0184 Screening compound: N-[2-(azepan-1-yl)ethyl]-3-[2-(pyrrolidin-1-yl)pyridin-4-yl]propanamide
T040-0184 Screening compound: N-[2-(azepan-1-yl)ethyl]-3-[2-(pyrrolidin-1-yl)pyridin-4-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T040-0184
N-[2-(azepan-1-yl)ethyl]-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

T040-0184

Molecular Formula

C20H32N4O (C20 H32 N4 O)

Compound Name

N-[2-(azepan-1-yl)ethyl]-3-[2-(pyrrolidin-1-yl)pyridin-4-yl]propanamide

IUPAC name

N-[2-(azepan-1-yl)ethyl]-3-[2-(pyrrolidin-1-yl)pyridin-4-yl]propanamide

SMILES

O=C(CCc1cc(N2CCCC2)ncc1)NCCN1CCCCCC1

InChI

InChI=1S/C20H32N4O/c25-20(22-11-16-23-12-3-1-2-4-13-23)8-7-18-9-10-21-19(17-18)24-14-5-6-15-24/h9-10,17H,1-8,11-16H2,(H,22,25)

InChI Key

VFMJWYNNDRHCOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28121193

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.644

Distribution Coefficient, logD

0.945

Water Solubility, LogSw

-2.99

Polar Surface Area

40.923

Acid Dissociation Constant (pKa)

13.39

Base Dissociation Constant (pKb)

9.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

70.00

T040-0184 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Cardiovascular Library (22201 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • 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 T040-0184 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T040-0184?
Check Price and Availability of T040-0184, 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 T040-0184 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T040-0184
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T040-0184
  • 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 T040-0184 available by request