T040-0521 Screening compound: 3-[2-(morpholin-4-yl)pyridin-4-yl]-N-[(thiophen-2-yl)methyl]propanamide

T040-0521 Screening compound: 3-[2-(morpholin-4-yl)pyridin-4-yl]-N-[(thiophen-2-yl)methyl]propanamide
T040-0521 Screening compound: 3-[2-(morpholin-4-yl)pyridin-4-yl]-N-[(thiophen-2-yl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T040-0521
3-[2-(morpholin-4-yl)pyridin-4-yl]-N-[(thiophen-2-yl)methyl]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

T040-0521

Molecular Formula

C17H21N3O2S (C17 H21 N3 O2 S)

Compound Name

3-[2-(morpholin-4-yl)pyridin-4-yl]-N-[(thiophen-2-yl)methyl]propanamide

IUPAC name

3-[2-(morpholin-4-yl)pyridin-4-yl]-N-[(thiophen-2-yl)methyl]propanamide

SMILES

O=C(CCc1cc(N2CCOCC2)ncc1)NCc1cccs1

InChI

InChI=1S/C17H21N3O2S/c21-17(19-13-15-2-1-11-23-15)4-3-14-5-6-18-16(12-14)20-7-9-22-10-8-20/h1-2,5-6,11-12H,3-4,7-10,13H2,(H,19,21)

InChI Key

MUWJBULHIPAGQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28121200

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.379

Distribution Coefficient, logD

2.342

Water Solubility, LogSw

-2.80

Polar Surface Area

45.329

Acid Dissociation Constant (pKa)

13.41

Base Dissociation Constant (pKb)

6.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

T040-0521 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with T040-0521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T040-0521?
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What is the minimum amount of T040-0521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T040-0521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T040-0521
  • 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 T040-0521 available by request