Y041-3648 Screening compound: 3-[3-(4-fluorophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]-N-[2-(4-hydroxyphenyl)ethyl]propanamide

Y041-3648 Screening compound: 3-[3-(4-fluorophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]-N-[2-(4-hydroxyphenyl)ethyl]propanamide
Y041-3648 Screening compound: 3-[3-(4-fluorophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]-N-[2-(4-hydroxyphenyl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-3648
3-[3-(4-fluorophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]-N-[2-(4-hydroxyphenyl)ethyl]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

Y041-3648

Molecular Formula

C29H24FNO5 (C29 H24 FNO5)

Compound Name

3-[3-(4-fluorophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]-N-[2-(4-hydroxyphenyl)ethyl]propanamide

IUPAC name

3-[3-(4-fluorophenyl)-5-methyl-7-oxo-7H-furo[32-g]chromen-6-yl]-N-[2-(4-hydroxyphenyl)ethyl]propanamide

SMILES

CC(c(c(O1)c2)cc3c2occ3-c(cc2)ccc2F)=C(CCC(NCCc(cc2)ccc2O)=O)C1=O

InChI

InChI=1S/C29H24FNO5/c1-17-22(10-11-28(33)31-13-12-18-2-8-21(32)9-3-18)29(34)36-27-15-26-24(14-23(17)27)25(16-35-26)19-4-6-20(30)7-5-19/h2-9,14-16,32H,10-13H2,1H3,(H,31,33)

InChI Key

XYEULUWCMDEFOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08745544

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.478

Distribution Coefficient, logD

4.477

Water Solubility, LogSw

-4.24

Polar Surface Area

72.107

Acid Dissociation Constant (pKa)

10.14

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.20

Y041-3648 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Adenosine Receptors Targeted Library (19896 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Phosphatases
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with Y041-3648 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-3648?
Check Price and Availability of Y041-3648, 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 Y041-3648 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-3648
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-3648
  • 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 Y041-3648 available by request