C667-0148 Screening compound: ethyl 1-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3,4-dioxocyclobut-1-en-1-yl)piperidine-4-carboxylate

C667-0148 Screening compound: ethyl 1-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3,4-dioxocyclobut-1-en-1-yl)piperidine-4-carboxylate
C667-0148 Screening compound: ethyl 1-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3,4-dioxocyclobut-1-en-1-yl)piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C667-0148
ethyl 1-(2-{[2-(3,4-dimethoxyphenyl)ethyl]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

C667-0148

Molecular Formula

C22H28N2O6 (C22 H28 N2 O6)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(CC1)CCN1C(C(C1=O)=O)=C1NCCc(cc1)cc(OC)c1OC)=O

InChI

InChI=1S/C22H28N2O6/c1-4-30-22(27)15-8-11-24(12-9-15)19-18(20(25)21(19)26)23-10-7-14-5-6-16(28-2)17(13-14)29-3/h5-6,13,15,23H,4,7-12H2,1-3H3

InChI Key

QFCWZFKPPNOHOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14780761

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.790

Distribution Coefficient, logD

1.789

Water Solubility, LogSw

-2.37

Polar Surface Area

76.715

Acid Dissociation Constant (pKa)

10.68

Base Dissociation Constant (pKb)

3.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C667-0148 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C667-0148 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C667-0148?
Check Price and Availability of C667-0148, 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 C667-0148 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C667-0148
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C667-0148
  • 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 C667-0148 available by request