T040-0728 Screening compound: 3-[2-(diethylamino)pyridin-4-yl]-N-[2-(thiophen-2-yl)ethyl]propanamide

T040-0728 Screening compound: 3-[2-(diethylamino)pyridin-4-yl]-N-[2-(thiophen-2-yl)ethyl]propanamide
T040-0728 Screening compound: 3-[2-(diethylamino)pyridin-4-yl]-N-[2-(thiophen-2-yl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T040-0728
3-[2-(diethylamino)pyridin-4-yl]-N-[2-(thiophen-2-yl)ethyl]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

T040-0728

Molecular Formula

C18H25N3OS (C18 H25 N3 OS)

Compound Name

3-[2-(diethylamino)pyridin-4-yl]-N-[2-(thiophen-2-yl)ethyl]propanamide

IUPAC name

3-[2-(diethylamino)pyridin-4-yl]-N-[2-(thiophen-2-yl)ethyl]propanamide

SMILES

CCN(CC)c1nccc(CCC(NCCc2cccs2)=O)c1

InChI

InChI=1S/C18H25N3OS/c1-3-21(4-2)17-14-15(9-11-19-17)7-8-18(22)20-12-10-16-6-5-13-23-16/h5-6,9,11,13-14H,3-4,7-8,10,12H2,1-2H3,(H,20,22)

InChI Key

AQPPVWAHPHFBHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618468

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.025

Distribution Coefficient, logD

2.805

Water Solubility, LogSw

-3.28

Polar Surface Area

36.546

Acid Dissociation Constant (pKa)

14.11

Base Dissociation Constant (pKb)

7.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

T040-0728 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with T040-0728 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T040-0728?
Check Price and Availability of T040-0728, 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 T040-0728 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T040-0728
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T040-0728
  • 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 T040-0728 available by request