C667-0410 Screening compound: ethyl 1-(2-{[3-(4-benzylpiperazin-1-yl)propyl]amino}-3,4-dioxocyclobut-1-en-1-yl)piperidine-4-carboxylate

C667-0410 Screening compound: ethyl 1-(2-{[3-(4-benzylpiperazin-1-yl)propyl]amino}-3,4-dioxocyclobut-1-en-1-yl)piperidine-4-carboxylate
C667-0410 Screening compound: ethyl 1-(2-{[3-(4-benzylpiperazin-1-yl)propyl]amino}-3,4-dioxocyclobut-1-en-1-yl)piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C667-0410
ethyl 1-(2-{[3-(4-benzylpiperazin-1-yl)propyl]amino}-3,4-dioxocyclobut-1-en-1-yl)piperidine-4-carboxylate

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

C667-0410

Molecular Formula

C26H36N4O4 (C26 H36 N4 O4)

Compound Name

ethyl 1-(2-{[3-(4-benzylpiperazin-1-yl)propyl]amino}-3,4-dioxocyclobut-1-en-1-yl)piperidine-4-carboxylate

IUPAC name

ethyl 1-(2-{[3-(4-benzylpiperazin-1-yl)propyl]amino}-34-dioxocyclobut-1-en-1-yl)piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(C(C1=O)=O)=C1NCCCN1CCN(Cc2ccccc2)CC1)=O

InChI

InChI=1S/C26H36N4O4/c1-2-34-26(33)21-9-13-30(14-10-21)23-22(24(31)25(23)32)27-11-6-12-28-15-17-29(18-16-28)19-20-7-4-3-5-8-20/h3-5,7-8,21,27H,2,6,9-19H2,1H3

InChI Key

CDRCAYDFONAVOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14780826

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.946

Distribution Coefficient, logD

1.137

Water Solubility, LogSw

-2.42

Polar Surface Area

68.977

Acid Dissociation Constant (pKa)

11.81

Base Dissociation Constant (pKb)

8.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.70

C667-0410 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C667-0410 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C667-0410?
Check Price and Availability of C667-0410, 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 C667-0410 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C667-0410
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C667-0410
  • 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 C667-0410 available by request