C667-0385 Screening compound: ethyl 1-(2-{[2-(2-methylpiperidin-1-yl)ethyl]amino}-3,4-dioxocyclobut-1-en-1-yl)piperidine-4-carboxylate

C667-0385 Screening compound: ethyl 1-(2-{[2-(2-methylpiperidin-1-yl)ethyl]amino}-3,4-dioxocyclobut-1-en-1-yl)piperidine-4-carboxylate
C667-0385 Screening compound: ethyl 1-(2-{[2-(2-methylpiperidin-1-yl)ethyl]amino}-3,4-dioxocyclobut-1-en-1-yl)piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C667-0385
ethyl 1-(2-{[2-(2-methylpiperidin-1-yl)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

C667-0385

Molecular Formula

C20H31N3O4 (C20 H31 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(CC1)CCN1C(C(C1=O)=O)=C1NCCN1C(C)CCCC1)=O

InChI

InChI=1S/C20H31N3O4/c1-3-27-20(26)15-7-11-23(12-8-15)17-16(18(24)19(17)25)21-9-13-22-10-5-4-6-14(22)2/h14-15,21H,3-13H2,1-2H3

InChI Key

AXXBMACCBDBJGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14780823

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.576

Distribution Coefficient, logD

0.068

Water Solubility, LogSw

-1.66

Polar Surface Area

64.887

Acid Dissociation Constant (pKa)

10.09

Base Dissociation Constant (pKb)

8.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

75.00

C667-0385 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 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
  • Pool
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C667-0385 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C667-0385?
Check Price and Availability of C667-0385, 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 C667-0385 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C667-0385
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C667-0385
  • 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 C667-0385 available by request