T040-0646 Screening compound: 3-[2-(diethylamino)pyridin-4-yl]-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-1-one

T040-0646 Screening compound: 3-[2-(diethylamino)pyridin-4-yl]-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-1-one
T040-0646 Screening compound: 3-[2-(diethylamino)pyridin-4-yl]-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T040-0646
3-[2-(diethylamino)pyridin-4-yl]-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-1-one

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

T040-0646

Molecular Formula

C21H29N5O (C21 H29 N5 O)

Compound Name

3-[2-(diethylamino)pyridin-4-yl]-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-1-one

IUPAC name

3-[2-(diethylamino)pyridin-4-yl]-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-1-one

SMILES

CCN(CC)c1nccc(CCC(N(CC2)CCN2c2ncccc2)=O)c1

InChI

InChI=1S/C21H29N5O/c1-3-24(4-2)20-17-18(10-12-23-20)8-9-21(27)26-15-13-25(14-16-26)19-7-5-6-11-22-19/h5-7,10-12,17H,3-4,8-9,13-16H2,1-2H3

InChI Key

ZRKQJGNXYNTFJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618420

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.186

Distribution Coefficient, logD

2.967

Water Solubility, LogSw

-3.18

Polar Surface Area

39.378

Acid Dissociation Constant (pKa)

23.39

Base Dissociation Constant (pKb)

7.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

T040-0646 in Drug Discovery

Included in Screening Libraries

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

Immunological Library (6760 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with T040-0646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T040-0646?
Check Price and Availability of T040-0646, 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 T040-0646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T040-0646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T040-0646
  • 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 T040-0646 available by request