T040-0701 Screening compound: 3-[2-(diethylamino)pyridin-4-yl]-N-[(2-methylphenyl)methyl]propanamide

T040-0701 Screening compound: 3-[2-(diethylamino)pyridin-4-yl]-N-[(2-methylphenyl)methyl]propanamide
T040-0701 Screening compound: 3-[2-(diethylamino)pyridin-4-yl]-N-[(2-methylphenyl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T040-0701
3-[2-(diethylamino)pyridin-4-yl]-N-[(2-methylphenyl)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

T040-0701

Molecular Formula

C20H27N3O (C20 H27 N3 O)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC)c1nccc(CCC(NCc2c(C)cccc2)=O)c1

InChI

InChI=1S/C20H27N3O/c1-4-23(5-2)19-14-17(12-13-21-19)10-11-20(24)22-15-18-9-7-6-8-16(18)3/h6-9,12-14H,4-5,10-11,15H2,1-3H3,(H,22,24)

InChI Key

GDPGJSGZWUEBJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618452

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.45

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

4.179

Distribution Coefficient, logD

3.959

Water Solubility, LogSw

-4.11

Polar Surface Area

35.686

Acid Dissociation Constant (pKa)

11.90

Base Dissociation Constant (pKb)

7.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

T040-0701 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 T040-0701 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T040-0701?
Check Price and Availability of T040-0701, 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 T040-0701 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T040-0701
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T040-0701
  • 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 T040-0701 available by request