Y040-6526 Screening compound: N-[(3-fluorophenyl)methyl]-3-(7-methoxy-4-methyl-2-oxo-2H-chromen-6-yl)propanamide

Y040-6526 Screening compound: N-[(3-fluorophenyl)methyl]-3-(7-methoxy-4-methyl-2-oxo-2H-chromen-6-yl)propanamide
Y040-6526 Screening compound: N-[(3-fluorophenyl)methyl]-3-(7-methoxy-4-methyl-2-oxo-2H-chromen-6-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-6526
N-[(3-fluorophenyl)methyl]-3-(7-methoxy-4-methyl-2-oxo-2H-chromen-6-yl)propanamide

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

Y040-6526

Molecular Formula

C21H20FNO4 (C21 H20 FNO4)

Compound Name

N-[(3-fluorophenyl)methyl]-3-(7-methoxy-4-methyl-2-oxo-2H-chromen-6-yl)propanamide

IUPAC name

N-[(3-fluorophenyl)methyl]-3-(7-methoxy-4-methyl-2-oxo-2H-chromen-6-yl)propanamide

SMILES

CC(c(c(O1)c2)cc(CCC(NCc3cccc(F)c3)=O)c2OC)=CC1=O

InChI

InChI=1S/C21H20FNO4/c1-13-8-21(25)27-19-11-18(26-2)15(10-17(13)19)6-7-20(24)23-12-14-4-3-5-16(22)9-14/h3-5,8-11H,6-7,12H2,1-2H3,(H,23,24)

InChI Key

VQMHRGROZDJRMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27961189

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.514

Distribution Coefficient, logD

3.514

Water Solubility, LogSw

-3.78

Polar Surface Area

52.476

Acid Dissociation Constant (pKa)

12.60

Base Dissociation Constant (pKb)

-2.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.81

Y040-6526 in Drug Discovery

Included in Screening Libraries

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

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y040-6526 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-6526?
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What is the minimum amount of Y040-6526 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-6526
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-6526
  • 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 Y040-6526 available by request