K906-2506 Screening compound: ethyl 3-[4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)benzamido]benzoate

K906-2506 Screening compound: ethyl 3-[4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)benzamido]benzoate
K906-2506 Screening compound: ethyl 3-[4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)benzamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-2506
ethyl 3-[4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)benzamido]benzoate

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

K906-2506

Molecular Formula

C27H29N3O5 (C27 H29 N3 O5)

Compound Name

ethyl 3-[4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)benzamido]benzoate

IUPAC name

ethyl 3-[4-({[2-(4-methylpiperidin-1-yl)-34-dioxocyclobut-1-en-1-yl]amino}methyl)benzamido]benzoate

SMILES

CCOC(c1cccc(NC(c2ccc(CNC(C(C3=O)=O)=C3N3CCC(C)CC3)cc2)=O)c1)=O

InChI

InChI=1S/C27H29N3O5/c1-3-35-27(34)20-5-4-6-21(15-20)29-26(33)19-9-7-18(8-10-19)16-28-22-23(25(32)24(22)31)30-13-11-17(2)12-14-30/h4-10,15,17,28H,3,11-14,16H2,1-2H3,(H,29,33)

InChI Key

QJKKLKLBLBHIPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15112809

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.198

Distribution Coefficient, logD

4.193

Water Solubility, LogSw

-4.12

Polar Surface Area

84.704

Acid Dissociation Constant (pKa)

9.30

Base Dissociation Constant (pKb)

2.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

K906-2506 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K906-2506 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-2506?
Check Price and Availability of K906-2506, 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 K906-2506 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-2506
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-2506
  • 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 K906-2506 available by request