C667-0256 Screening compound: ethyl 1-{2-[(3-ethylphenyl)amino]-3,4-dioxocyclobut-1-en-1-yl}piperidine-4-carboxylate

C667-0256 Screening compound: ethyl 1-{2-[(3-ethylphenyl)amino]-3,4-dioxocyclobut-1-en-1-yl}piperidine-4-carboxylate
C667-0256 Screening compound: ethyl 1-{2-[(3-ethylphenyl)amino]-3,4-dioxocyclobut-1-en-1-yl}piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C667-0256
ethyl 1-{2-[(3-ethylphenyl)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

C667-0256

Molecular Formula

C20H24N2O4 (C20 H24 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

CCc1cccc(NC(C(C2=O)=O)=C2N(CC2)CCC2C(OCC)=O)c1

InChI

InChI=1S/C20H24N2O4/c1-3-13-6-5-7-15(12-13)21-16-17(19(24)18(16)23)22-10-8-14(9-11-22)20(25)26-4-2/h5-7,12,14,21H,3-4,8-11H2,1-2H3

InChI Key

TUDPUNBWYACXJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14780795

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.394

Distribution Coefficient, logD

3.383

Water Solubility, LogSw

-3.58

Polar Surface Area

60.290

Acid Dissociation Constant (pKa)

9.02

Base Dissociation Constant (pKb)

4.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

C667-0256 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C667-0256 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C667-0256?
Check Price and Availability of C667-0256, 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 C667-0256 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C667-0256
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C667-0256
  • 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 C667-0256 available by request