C301-9504 Screening compound: N-[4-(cyclohexylamino)-2-oxo-2H-chromen-3-yl]-2-(3-methoxyphenyl)acetamide

C301-9504 Screening compound: N-[4-(cyclohexylamino)-2-oxo-2H-chromen-3-yl]-2-(3-methoxyphenyl)acetamide
C301-9504 Screening compound: N-[4-(cyclohexylamino)-2-oxo-2H-chromen-3-yl]-2-(3-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9504
N-[4-(cyclohexylamino)-2-oxo-2H-chromen-3-yl]-2-(3-methoxyphenyl)acetamide

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

C301-9504

Molecular Formula

C24H26N2O4 (C24 H26 N2 O4)

Compound Name

N-[4-(cyclohexylamino)-2-oxo-2H-chromen-3-yl]-2-(3-methoxyphenyl)acetamide

IUPAC name

N-[4-(cyclohexylamino)-2-oxo-2H-chromen-3-yl]-2-(3-methoxyphenyl)acetamide

SMILES

COc1cccc(CC(NC(C(Oc2c3cccc2)=O)=C3NC2CCCCC2)=O)c1

InChI

InChI=1S/C24H26N2O4/c1-29-18-11-7-8-16(14-18)15-21(27)26-23-22(25-17-9-3-2-4-10-17)19-12-5-6-13-20(19)30-24(23)28/h5-8,11-14,17,25H,2-4,9-10,15H2,1H3,(H,26,27)

InChI Key

KVOBMXDXCCPEPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964130

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.923

Distribution Coefficient, logD

3.813

Water Solubility, LogSw

-4.18

Polar Surface Area

61.940

Acid Dissociation Constant (pKa)

7.96

Base Dissociation Constant (pKb)

5.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C301-9504 in Drug Discovery

Included in Screening Libraries

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C301-9504 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9504?
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What is the minimum amount of C301-9504 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9504
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9504
  • 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 C301-9504 available by request