C804-0929 Screening compound: N-(2,4-dimethoxyphenyl)-4-({[2-(morpholin-4-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)benzamide

C804-0929 Screening compound: N-(2,4-dimethoxyphenyl)-4-({[2-(morpholin-4-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)benzamide
C804-0929 Screening compound: N-(2,4-dimethoxyphenyl)-4-({[2-(morpholin-4-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C804-0929
N-(2,4-dimethoxyphenyl)-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

C804-0929

Molecular Formula

C24H25N3O6 (C24 H25 N3 O6)

Compound Name

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

IUPAC name

N-(24-dimethoxyphenyl)-4-({[2-(morpholin-4-yl)-34-dioxocyclobut-1-en-1-yl]amino}methyl)benzamide

SMILES

COc(cc1)cc(OC)c1NC(c1ccc(CNC(C(C2=O)=O)=C2N2CCOCC2)cc1)=O

InChI

InChI=1S/C24H25N3O6/c1-31-17-7-8-18(19(13-17)32-2)26-24(30)16-5-3-15(4-6-16)14-25-20-21(23(29)22(20)28)27-9-11-33-12-10-27/h3-8,13,25H,9-12,14H2,1-2H3,(H,26,30)

InChI Key

SLJVEQOUYPNCSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14800225

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.871

Distribution Coefficient, logD

1.865

Water Solubility, LogSw

-2.55

Polar Surface Area

86.335

Acid Dissociation Constant (pKa)

9.30

Base Dissociation Constant (pKb)

1.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

C804-0929 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C804-0929 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C804-0929?
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What is the minimum amount of C804-0929 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C804-0929
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C804-0929
  • 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 C804-0929 available by request