Y041-1800 Screening compound: ethyl 3-{4,8-dimethyl-7-[(4-nitrophenyl)methoxy]-2-oxo-2H-chromen-3-yl}propanoate

Y041-1800 Screening compound: ethyl 3-{4,8-dimethyl-7-[(4-nitrophenyl)methoxy]-2-oxo-2H-chromen-3-yl}propanoate
Y041-1800 Screening compound: ethyl 3-{4,8-dimethyl-7-[(4-nitrophenyl)methoxy]-2-oxo-2H-chromen-3-yl}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-1800
ethyl 3-{4,8-dimethyl-7-[(4-nitrophenyl)methoxy]-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

Y041-1800

Molecular Formula

C23H23NO7 (C23 H23 NO7)

Compound Name

ethyl 3-{4,8-dimethyl-7-[(4-nitrophenyl)methoxy]-2-oxo-2H-chromen-3-yl}propanoate

IUPAC name

ethyl 3-{48-dimethyl-7-[(4-nitrophenyl)methoxy]-2-oxo-2H-chromen-3-yl}propanoate

SMILES

CCOC(CCC1=C(C)c(ccc(OCc(cc2)ccc2[N+]([O-])=O)c2C)c2OC1=O)=O

InChI

InChI=1S/C23H23NO7/c1-4-29-21(25)12-10-19-14(2)18-9-11-20(15(3)22(18)31-23(19)26)30-13-16-5-7-17(8-6-16)24(27)28/h5-9,11H,4,10,12-13H2,1-3H3

InChI Key

LKLWAEDZUOPQFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03850871

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.44

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.882

Distribution Coefficient, logD

4.882

Water Solubility, LogSw

-4.86

Polar Surface Area

81.699

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 Y041-1800 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-1800?
Check Price and Availability of Y041-1800, 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 Y041-1800 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-1800
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-1800
  • 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 Y041-1800 available by request