T040-0661 Screening compound: 3-[2-(diethylamino)pyridin-4-yl]-N-[(pyridin-3-yl)methyl]propanamide

T040-0661 Screening compound: 3-[2-(diethylamino)pyridin-4-yl]-N-[(pyridin-3-yl)methyl]propanamide
T040-0661 Screening compound: 3-[2-(diethylamino)pyridin-4-yl]-N-[(pyridin-3-yl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T040-0661
3-[2-(diethylamino)pyridin-4-yl]-N-[(pyridin-3-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

T040-0661

Molecular Formula

C18H24N4O (C18 H24 N4 O)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC)c1nccc(CCC(NCc2cnccc2)=O)c1

InChI

InChI=1S/C18H24N4O/c1-3-22(4-2)17-12-15(9-11-20-17)7-8-18(23)21-14-16-6-5-10-19-13-16/h5-6,9-13H,3-4,7-8,14H2,1-2H3,(H,21,23)

InChI Key

RTXGKJBDXGFHQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618430

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.063

Distribution Coefficient, logD

1.843

Water Solubility, LogSw

-2.14

Polar Surface Area

45.204

Acid Dissociation Constant (pKa)

13.40

Base Dissociation Constant (pKb)

7.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

T040-0661 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with T040-0661 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T040-0661?
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What is the minimum amount of T040-0661 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T040-0661
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T040-0661
  • 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 T040-0661 available by request