K906-2259 Screening compound: ethyl 1-[2-({3-[ethyl(3-methylphenyl)amino]propyl}amino)-3,4-dioxocyclobut-1-en-1-yl]piperidine-3-carboxylate

K906-2259 Screening compound: ethyl 1-[2-({3-[ethyl(3-methylphenyl)amino]propyl}amino)-3,4-dioxocyclobut-1-en-1-yl]piperidine-3-carboxylate
K906-2259 Screening compound: ethyl 1-[2-({3-[ethyl(3-methylphenyl)amino]propyl}amino)-3,4-dioxocyclobut-1-en-1-yl]piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-2259
ethyl 1-[2-({3-[ethyl(3-methylphenyl)amino]propyl}amino)-3,4-dioxocyclobut-1-en-1-yl]piperidine-3-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

K906-2259

Molecular Formula

C24H33N3O4 (C24 H33 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

CCN(CCCNC(C(C1=O)=O)=C1N(CCC1)CC1C(OCC)=O)c1cc(C)ccc1

InChI

InChI=1S/C24H33N3O4/c1-4-26(19-11-6-9-17(3)15-19)14-8-12-25-20-21(23(29)22(20)28)27-13-7-10-18(16-27)24(30)31-5-2/h6,9,11,15,18,25H,4-5,7-8,10,12-14,16H2,1-3H3/t18-/m0/s1

InChI Key

UWDJOHQVQGKPOC-SFHVURJKSA-N

MDL Number (MFCD)

MFCD15112747

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.411

Distribution Coefficient, logD

3.406

Water Solubility, LogSw

-3.55

Polar Surface Area

64.377

Acid Dissociation Constant (pKa)

10.97

Base Dissociation Constant (pKb)

9.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.20

K906-2259 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with K906-2259 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-2259?
Check Price and Availability of K906-2259, 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 K906-2259 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-2259
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-2259
  • 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 K906-2259 available by request