C204-0085 Screening compound: 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-methyl-2-(morpholin-4-yl)quinolin-6-yl]-4-oxobutanamide

C204-0085 Screening compound: 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-methyl-2-(morpholin-4-yl)quinolin-6-yl]-4-oxobutanamide
C204-0085 Screening compound: 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-methyl-2-(morpholin-4-yl)quinolin-6-yl]-4-oxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C204-0085
4-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-methyl-2-(morpholin-4-yl)quinolin-6-yl]-4-oxobutanamide

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

C204-0085

Molecular Formula

C28H32FN5O3 (C28 H32 FN5 O3)

Compound Name

4-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-methyl-2-(morpholin-4-yl)quinolin-6-yl]-4-oxobutanamide

IUPAC name

4-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-methyl-2-(morpholin-4-yl)quinolin-6-yl]-4-oxobutanamide

SMILES

Cc1c(cc(cc2)NC(CCC(N(CC3)CCN3c(cc3)ccc3F)=O)=O)c2nc(N2CCOCC2)c1

InChI

InChI=1S/C28H32FN5O3/c1-20-18-26(33-14-16-37-17-15-33)31-25-7-4-22(19-24(20)25)30-27(35)8-9-28(36)34-12-10-32(11-13-34)23-5-2-21(29)3-6-23/h2-7,18-19H,8-17H2,1H3,(H,30,35)

InChI Key

LMHXQQKGADTQJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14731957

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.707

Distribution Coefficient, logD

3.707

Water Solubility, LogSw

-3.93

Polar Surface Area

61.924

Acid Dissociation Constant (pKa)

11.10

Base Dissociation Constant (pKb)

4.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.30

C204-0085 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS Targets (44014 compounds)

PI3K-Targeted Library (17255 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C204-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C204-0085?
Check Price and Availability of C204-0085, 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 C204-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C204-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C204-0085
  • 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 C204-0085 available by request