Y040-7872 Screening compound: ethyl 3-[6-chloro-7-(2-ethoxy-2-oxoethoxy)-4-methyl-2-oxo-2H-chromen-3-yl]propanoate

Y040-7872 Screening compound: ethyl 3-[6-chloro-7-(2-ethoxy-2-oxoethoxy)-4-methyl-2-oxo-2H-chromen-3-yl]propanoate
Y040-7872 Screening compound: ethyl 3-[6-chloro-7-(2-ethoxy-2-oxoethoxy)-4-methyl-2-oxo-2H-chromen-3-yl]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-7872
ethyl 3-[6-chloro-7-(2-ethoxy-2-oxoethoxy)-4-methyl-2-oxo-2H-chromen-3-yl]propanoate

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

Y040-7872

Molecular Formula

C19H21ClO7 (C19 H21 ClO7)

Compound Name

ethyl 3-[6-chloro-7-(2-ethoxy-2-oxoethoxy)-4-methyl-2-oxo-2H-chromen-3-yl]propanoate

IUPAC name

ethyl 3-[6-chloro-7-(2-ethoxy-2-oxoethoxy)-4-methyl-2-oxo-2H-chromen-3-yl]propanoate

SMILES

CCOC(CCC(C(Oc1c2)=O)=C(C)c1cc(Cl)c2OCC(OCC)=O)=O

InChI

InChI=1S/C19H21ClO7/c1-4-24-17(21)7-6-12-11(3)13-8-14(20)16(9-15(13)27-19(12)23)26-10-18(22)25-5-2/h8-9H,4-7,10H2,1-3H3

InChI Key

JCZDZVAZAHUVEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04021355

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.82

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.748

Distribution Coefficient, logD

3.748

Water Solubility, LogSw

-4.17

Polar Surface Area

69.063

Acid Dissociation Constant (pKa)

23.48

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

Y040-7872 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y040-7872 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-7872?
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What is the minimum amount of Y040-7872 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-7872
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-7872
  • 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 Y040-7872 available by request