Y040-2253 Screening compound: 2-[4,8-dimethyl-7-(2-naphthylmethoxy)-2-oxo-2H-chromen-3-yl]acetic acid

Y040-2253 Screening compound: 2-[4,8-dimethyl-7-(2-naphthylmethoxy)-2-oxo-2H-chromen-3-yl]acetic acid
Y040-2253 Screening compound: 2-[4,8-dimethyl-7-(2-naphthylmethoxy)-2-oxo-2H-chromen-3-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-2253
2-[4,8-dimethyl-7-(2-naphthylmethoxy)-2-oxo-2H-chromen-3-yl]acetic acid

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

Y040-2253

Molecular Formula

C24H20O5 (C24 H20 O5)

Compound Name

2-[4,8-dimethyl-7-(2-naphthylmethoxy)-2-oxo-2H-chromen-3-yl]acetic acid

IUPAC name

2-{48-dimethyl-7-[(naphthalen-2-yl)methoxy]-2-oxo-2H-chromen-3-yl}acetic acid

SMILES

Cc(c(O1)c(cc2)C(C)=C(CC(O)=O)C1=O)c2OCc1cc2ccccc2cc1

InChI

InChI=1S/C24H20O5/c1-14-19-9-10-21(15(2)23(19)29-24(27)20(14)12-22(25)26)28-13-16-7-8-17-5-3-4-6-18(17)11-16/h3-11H,12-13H2,1-2H3,(H,25,26)

InChI Key

YLZWOTOTSYYLPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03852972

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.013

Distribution Coefficient, logD

1.554

Water Solubility, LogSw

-5.41

Polar Surface Area

56.271

Acid Dissociation Constant (pKa)

3.94

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

Y040-2253 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 Y040-2253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-2253?
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What is the minimum amount of Y040-2253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-2253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-2253
  • 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 Y040-2253 available by request