Y040-7894 Screening compound: ethyl 3-{6-chloro-7-[(2-methoxy-5-nitrophenyl)methoxy]-4-methyl-2-oxo-2H-chromen-3-yl}propanoate

Y040-7894 Screening compound: ethyl 3-{6-chloro-7-[(2-methoxy-5-nitrophenyl)methoxy]-4-methyl-2-oxo-2H-chromen-3-yl}propanoate
Y040-7894 Screening compound: ethyl 3-{6-chloro-7-[(2-methoxy-5-nitrophenyl)methoxy]-4-methyl-2-oxo-2H-chromen-3-yl}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-7894
ethyl 3-{6-chloro-7-[(2-methoxy-5-nitrophenyl)methoxy]-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

Y040-7894

Molecular Formula

C23H22ClNO8 (C23 H22 ClNO8)

Compound Name

ethyl 3-{6-chloro-7-[(2-methoxy-5-nitrophenyl)methoxy]-4-methyl-2-oxo-2H-chromen-3-yl}propanoate

IUPAC name

ethyl 3-{6-chloro-7-[(2-methoxy-5-nitrophenyl)methoxy]-4-methyl-2-oxo-2H-chromen-3-yl}propanoate

SMILES

CCOC(CCC(C(Oc1c2)=O)=C(C)c1cc(Cl)c2OCc(cc(cc1)[N+]([O-])=O)c1OC)=O

InChI

InChI=1S/C23H22ClNO8/c1-4-31-22(26)8-6-16-13(2)17-10-18(24)21(11-20(17)33-23(16)27)32-12-14-9-15(25(28)29)5-7-19(14)30-3/h5,7,9-11H,4,6,8,12H2,1-3H3

InChI Key

PDIHDIOEMZPIHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04025892

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.88

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.163

Distribution Coefficient, logD

5.163

Water Solubility, LogSw

-5.53

Polar Surface Area

89.645

Acid Dissociation Constant (pKa)

23.48

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with Y040-7894 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-7894?
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What is the minimum amount of Y040-7894 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-7894
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-7894
  • 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 Y040-7894 available by request