C906-0687 Screening compound: N-(4-METHYLBENZYL)-4-{[(2-MORPHOLINO-3,4-DIOXO-1-CYCLOBUTENYL)AMINO]METHYL}-1-CYCLOHEXANECARBOXAMIDE

C906-0687 Screening compound: N-(4-METHYLBENZYL)-4-{[(2-MORPHOLINO-3,4-DIOXO-1-CYCLOBUTENYL)AMINO]METHYL}-1-CYCLOHEXANECARBOXAMIDE
C906-0687 Screening compound: N-(4-METHYLBENZYL)-4-{[(2-MORPHOLINO-3,4-DIOXO-1-CYCLOBUTENYL)AMINO]METHYL}-1-CYCLOHEXANECARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C906-0687
N-(4-METHYLBENZYL)-4-{[(2-MORPHOLINO-3,4-DIOXO-1-CYCLOBUTENYL)AMINO]METHYL}-1-CYCLOHEXANECARBOXAMIDE

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

C906-0687

Molecular Formula

C24H31N3O4 (C24 H31 N3 O4)

Compound Name

N-(4-METHYLBENZYL)-4-{[(2-MORPHOLINO-3,4-DIOXO-1-CYCLOBUTENYL)AMINO]METHYL}-1-CYCLOHEXANECARBOXAMIDE

IUPAC name

N-[(4-methylphenyl)methyl]-4-({[2-(morpholin-4-yl)-34-dioxocyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carboxamide

SMILES

Cc1ccc(CNC(C2CCC(CNC(C(C3=O)=O)=C3N3CCOCC3)CC2)=O)cc1

InChI

InChI=1S/C24H31N3O4/c1-16-2-4-17(5-3-16)15-26-24(30)19-8-6-18(7-9-19)14-25-20-21(23(29)22(20)28)27-10-12-31-13-11-27/h2-5,18-19,25H,6-15H2,1H3,(H,26,30)

InChI Key

IBDDNQWSLXFQLH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14807464

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.517

Distribution Coefficient, logD

2.517

Water Solubility, LogSw

-2.66

Polar Surface Area

73.373

Acid Dissociation Constant (pKa)

10.89

Base Dissociation Constant (pKb)

4.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.17

C906-0687 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

PI3K-Targeted Library (17255 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
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C906-0687 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C906-0687?
Check Price and Availability of C906-0687, 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 C906-0687 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C906-0687
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C906-0687
  • 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 C906-0687 available by request