Y040-4752 Screening compound: 2-[4-(8-methoxy-2-oxo-2H-chromen-3-yl)phenoxy]-N-(5-methyl-1,3-thiazol-2-yl)acetamide

Y040-4752 Screening compound: 2-[4-(8-methoxy-2-oxo-2H-chromen-3-yl)phenoxy]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
Y040-4752 Screening compound: 2-[4-(8-methoxy-2-oxo-2H-chromen-3-yl)phenoxy]-N-(5-methyl-1,3-thiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-4752
2-[4-(8-methoxy-2-oxo-2H-chromen-3-yl)phenoxy]-N-(5-methyl-1,3-thiazol-2-yl)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

Y040-4752

Molecular Formula

C22H18N2O5S (C22 H18 N2 O5 S)

Compound Name

2-[4-(8-methoxy-2-oxo-2H-chromen-3-yl)phenoxy]-N-(5-methyl-1,3-thiazol-2-yl)acetamide

IUPAC name

2-[4-(8-methoxy-2-oxo-2H-chromen-3-yl)phenoxy]-N-(5-methyl-13-thiazol-2-yl)acetamide

SMILES

Cc1cnc(NC(COc(cc2)ccc2C2=Cc(cccc3OC)c3OC2=O)=O)s1

InChI

InChI=1S/C22H18N2O5S/c1-13-11-23-22(30-13)24-19(25)12-28-16-8-6-14(7-9-16)17-10-15-4-3-5-18(27-2)20(15)29-21(17)26/h3-11H,12H2,1-2H3,(H,23,24,25)

InChI Key

YUQGDTJTPPJPMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12199163

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.214

Distribution Coefficient, logD

4.206

Water Solubility, LogSw

-4.32

Polar Surface Area

69.148

Acid Dissociation Constant (pKa)

9.11

Base Dissociation Constant (pKb)

0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

Y040-4752 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y040-4752 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-4752?
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What is the minimum amount of Y040-4752 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-4752
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-4752
  • 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 Y040-4752 available by request