C906-0537 Screening compound: N-[2-(4-methylphenyl)ethyl]-4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carboxamide

C906-0537 Screening compound: N-[2-(4-methylphenyl)ethyl]-4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carboxamide
C906-0537 Screening compound: N-[2-(4-methylphenyl)ethyl]-4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C906-0537
N-[2-(4-methylphenyl)ethyl]-4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carboxamide

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

C906-0537

Molecular Formula

C27H37N3O3 (C27 H37 N3 O3)

Compound Name

N-[2-(4-methylphenyl)ethyl]-4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carboxamide

IUPAC name

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

SMILES

CC(CC1)CCN1C(C(C1=O)=O)=C1NCC(CC1)CCC1C(NCCc1ccc(C)cc1)=O

InChI

InChI=1S/C27H37N3O3/c1-18-3-5-20(6-4-18)11-14-28-27(33)22-9-7-21(8-10-22)17-29-23-24(26(32)25(23)31)30-15-12-19(2)13-16-30/h3-6,19,21-22,29H,7-17H2,1-2H3,(H,28,33)

InChI Key

FAPGDGRBNCNSLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14807412

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.180

Distribution Coefficient, logD

4.179

Water Solubility, LogSw

-4.10

Polar Surface Area

65.306

Acid Dissociation Constant (pKa)

10.89

Base Dissociation Constant (pKb)

1.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

59.30

C906-0537 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CORONAVIRUS Library (20774 compounds)

Dark Chemical Matter Library (18430 compounds)

PLpro Library (6343 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C906-0537 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C906-0537?
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What is the minimum amount of C906-0537 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C906-0537
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C906-0537
  • 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 C906-0537 available by request