C204-0076 Screening compound: 4-(4-benzylpiperazin-1-yl)-N-[4-methyl-2-(morpholin-4-yl)quinolin-6-yl]-4-oxobutanamide

C204-0076 Screening compound: 4-(4-benzylpiperazin-1-yl)-N-[4-methyl-2-(morpholin-4-yl)quinolin-6-yl]-4-oxobutanamide
C204-0076 Screening compound: 4-(4-benzylpiperazin-1-yl)-N-[4-methyl-2-(morpholin-4-yl)quinolin-6-yl]-4-oxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C204-0076
4-(4-benzylpiperazin-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

C204-0076

Molecular Formula

C29H35N5O3 (C29 H35 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(cc(cc2)NC(CCC(N3CCN(Cc4ccccc4)CC3)=O)=O)c2nc(N2CCOCC2)c1

InChI

InChI=1S/C29H35N5O3/c1-22-19-27(33-15-17-37-18-16-33)31-26-8-7-24(20-25(22)26)30-28(35)9-10-29(36)34-13-11-32(12-14-34)21-23-5-3-2-4-6-23/h2-8,19-20H,9-18,21H2,1H3,(H,30,35)

InChI Key

VATODHSKJMFCJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14731950

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.238

Distribution Coefficient, logD

3.205

Water Solubility, LogSw

-3.22

Polar Surface Area

62.204

Acid Dissociation Constant (pKa)

11.10

Base Dissociation Constant (pKb)

6.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.40

C204-0076 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

PI3K-Targeted Library (17255 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C204-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C204-0076?
Check Price and Availability of C204-0076, 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 C204-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C204-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C204-0076
  • 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 C204-0076 available by request