T040-0552 Screening compound: 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[2-(morpholin-4-yl)pyridin-4-yl]propan-1-one

T040-0552 Screening compound: 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[2-(morpholin-4-yl)pyridin-4-yl]propan-1-one
T040-0552 Screening compound: 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[2-(morpholin-4-yl)pyridin-4-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T040-0552
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[2-(morpholin-4-yl)pyridin-4-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

T040-0552

Molecular Formula

C22H27FN4O2 (C22 H27 FN4 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCc1cc(N2CCOCC2)ncc1)N(CC1)CCN1c(cccc1)c1F

InChI

InChI=1S/C22H27FN4O2/c23-19-3-1-2-4-20(19)25-9-11-27(12-10-25)22(28)6-5-18-7-8-24-21(17-18)26-13-15-29-16-14-26/h1-4,7-8,17H,5-6,9-16H2

InChI Key

IVOUHVFOEBYXRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618385

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.811

Distribution Coefficient, logD

2.773

Water Solubility, LogSw

-3.21

Polar Surface Area

39.191

Acid Dissociation Constant (pKa)

23.39

Base Dissociation Constant (pKb)

6.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

T040-0552 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

SmartTM Library (51161 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with T040-0552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T040-0552?
Check Price and Availability of T040-0552, 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 T040-0552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T040-0552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T040-0552
  • 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 T040-0552 available by request