K906-2594 Screening compound: 4-({[3,4-dioxo-2-(piperidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)-N-(4-methylphenyl)benzamide

K906-2594 Screening compound: 4-({[3,4-dioxo-2-(piperidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)-N-(4-methylphenyl)benzamide
K906-2594 Screening compound: 4-({[3,4-dioxo-2-(piperidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)-N-(4-methylphenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-2594
4-({[3,4-dioxo-2-(piperidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)-N-(4-methylphenyl)benzamide

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

K906-2594

Molecular Formula

C24H25N3O3 (C24 H25 N3 O3)

Compound Name

4-({[3,4-dioxo-2-(piperidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)-N-(4-methylphenyl)benzamide

IUPAC name

4-({[34-dioxo-2-(piperidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)-N-(4-methylphenyl)benzamide

SMILES

Cc(cc1)ccc1NC(c1ccc(CNC(C(C2=O)=O)=C2N2CCCCC2)cc1)=O

InChI

InChI=1S/C24H25N3O3/c1-16-5-11-19(12-6-16)26-24(30)18-9-7-17(8-10-18)15-25-20-21(23(29)22(20)28)27-13-3-2-4-14-27/h5-12,25H,2-4,13-15H2,1H3,(H,26,30)

InChI Key

QQQMLRVEWSZEBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15112838

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.509

Distribution Coefficient, logD

3.504

Water Solubility, LogSw

-3.55

Polar Surface Area

63.950

Acid Dissociation Constant (pKa)

9.30

Base Dissociation Constant (pKb)

2.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

K906-2594 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K906-2594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-2594?
Check Price and Availability of K906-2594, 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 K906-2594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-2594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-2594
  • 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 K906-2594 available by request