K906-2502 Screening compound: N-(2,5-diethoxyphenyl)-4-({[2-(morpholin-4-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)benzamide

K906-2502 Screening compound: N-(2,5-diethoxyphenyl)-4-({[2-(morpholin-4-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)benzamide
K906-2502 Screening compound: N-(2,5-diethoxyphenyl)-4-({[2-(morpholin-4-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-2502
N-(2,5-diethoxyphenyl)-4-({[2-(morpholin-4-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)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

K906-2502

Molecular Formula

C26H29N3O6 (C26 H29 N3 O6)

Compound Name

N-(2,5-diethoxyphenyl)-4-({[2-(morpholin-4-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)benzamide

IUPAC name

N-(25-diethoxyphenyl)-4-({[2-(morpholin-4-yl)-34-dioxocyclobut-1-en-1-yl]amino}methyl)benzamide

SMILES

CCOc(cc1)cc(NC(c2ccc(CNC(C(C3=O)=O)=C3N3CCOCC3)cc2)=O)c1OCC

InChI

InChI=1S/C26H29N3O6/c1-3-34-19-9-10-21(35-4-2)20(15-19)28-26(32)18-7-5-17(6-8-18)16-27-22-23(25(31)24(22)30)29-11-13-33-14-12-29/h5-10,15,27H,3-4,11-14,16H2,1-2H3,(H,28,32)

InChI Key

TZCLIOIZRLQUER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15112807

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.618

Distribution Coefficient, logD

2.597

Water Solubility, LogSw

-3.11

Polar Surface Area

85.495

Acid Dissociation Constant (pKa)

8.71

Base Dissociation Constant (pKb)

1.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

K906-2502 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K906-2502 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-2502?
Check Price and Availability of K906-2502, 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 K906-2502 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-2502
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-2502
  • 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 K906-2502 available by request