C804-0925 Screening compound: N-cyclopentyl-4-({[2-(morpholin-4-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)benzamide

C804-0925 Screening compound: N-cyclopentyl-4-({[2-(morpholin-4-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)benzamide
C804-0925 Screening compound: N-cyclopentyl-4-({[2-(morpholin-4-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C804-0925
N-cyclopentyl-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

C804-0925

Molecular Formula

C21H25N3O4 (C21 H25 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1ccc(CNC(C(C2=O)=O)=C2N2CCOCC2)cc1)NC1CCCC1

InChI

InChI=1S/C21H25N3O4/c25-19-17(18(20(19)26)24-9-11-28-12-10-24)22-13-14-5-7-15(8-6-14)21(27)23-16-3-1-2-4-16/h5-8,16,22H,1-4,9-13H2,(H,23,27)

InChI Key

IARXJKZGMPJQFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14800224

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.45

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

1.470

Distribution Coefficient, logD

1.465

Water Solubility, LogSw

-2.09

Polar Surface Area

73.272

Acid Dissociation Constant (pKa)

9.30

Base Dissociation Constant (pKb)

1.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

C804-0925 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C804-0925 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C804-0925?
Check Price and Availability of C804-0925, 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 C804-0925 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C804-0925
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C804-0925
  • 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 C804-0925 available by request