C804-0923 Screening compound: N-CYCLOHEXYL-4-({[2-(MORPHOLIN-4-YL)-3,4-DIOXOCYCLOBUT-1-EN-1-YL]AMINO}METHYL)BENZAMIDE

C804-0923 Screening compound: N-CYCLOHEXYL-4-({[2-(MORPHOLIN-4-YL)-3,4-DIOXOCYCLOBUT-1-EN-1-YL]AMINO}METHYL)BENZAMIDE
C804-0923 Screening compound: N-CYCLOHEXYL-4-({[2-(MORPHOLIN-4-YL)-3,4-DIOXOCYCLOBUT-1-EN-1-YL]AMINO}METHYL)BENZAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C804-0923
N-CYCLOHEXYL-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

C804-0923

Molecular Formula

C22H27N3O4 (C22 H27 N3 O4)

Compound Name

N-CYCLOHEXYL-4-({[2-(MORPHOLIN-4-YL)-3,4-DIOXOCYCLOBUT-1-EN-1-YL]AMINO}METHYL)BENZAMIDE

IUPAC name

n/a

SMILES

O=C(c1ccc(CNC(C(C2=O)=O)=C2N2CCOCC2)cc1)NC1CCCCC1

InChI

InChI=1S/C22H27N3O4/c26-20-18(19(21(20)27)25-10-12-29-13-11-25)23-14-15-6-8-16(9-7-15)22(28)24-17-4-2-1-3-5-17/h6-9,17,23H,1-5,10-14H2,(H,24,28)

InChI Key

PMPDVNWKPDHKBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14800222

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.926

Distribution Coefficient, logD

1.920

Water Solubility, LogSw

-2.38

Polar Surface Area

72.906

Acid Dissociation Constant (pKa)

9.30

Base Dissociation Constant (pKb)

1.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C804-0923 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Cardiovascular Library (22201 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
Therapeutical areas:
  • Cardiovascular
  • 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 C804-0923 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C804-0923?
Check Price and Availability of C804-0923, 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 C804-0923 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C804-0923
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C804-0923
  • 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 C804-0923 available by request