T040-0729 Screening compound: 3-[2-(diethylamino)pyridin-4-yl]-N-[(2,4-difluorophenyl)methyl]propanamide

T040-0729 Screening compound: 3-[2-(diethylamino)pyridin-4-yl]-N-[(2,4-difluorophenyl)methyl]propanamide
T040-0729 Screening compound: 3-[2-(diethylamino)pyridin-4-yl]-N-[(2,4-difluorophenyl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T040-0729
3-[2-(diethylamino)pyridin-4-yl]-N-[(2,4-difluorophenyl)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

T040-0729

Molecular Formula

C19H23F2N3O (C19 H23 F2 N3 O)

Compound Name

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

IUPAC name

3-[2-(diethylamino)pyridin-4-yl]-N-[(24-difluorophenyl)methyl]propanamide

SMILES

CCN(CC)c1nccc(CCC(NCc(ccc(F)c2)c2F)=O)c1

InChI

InChI=1S/C19H23F2N3O/c1-3-24(4-2)18-11-14(9-10-22-18)5-8-19(25)23-13-15-6-7-16(20)12-17(15)21/h6-7,9-12H,3-5,8,13H2,1-2H3,(H,23,25)

InChI Key

WTSLXSORZLOPSZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618469

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.705

Distribution Coefficient, logD

3.485

Water Solubility, LogSw

-3.81

Polar Surface Area

35.686

Acid Dissociation Constant (pKa)

12.18

Base Dissociation Constant (pKb)

7.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

T040-0729 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 T040-0729 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T040-0729?
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What is the minimum amount of T040-0729 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T040-0729
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T040-0729
  • 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 T040-0729 available by request