Y040-8216 Screening compound: methyl 2-{4-methyl-7-[(4-nitrophenyl)methoxy]-2-oxo-2H-chromen-3-yl}acetate

Y040-8216 Screening compound: methyl 2-{4-methyl-7-[(4-nitrophenyl)methoxy]-2-oxo-2H-chromen-3-yl}acetate
Y040-8216 Screening compound: methyl 2-{4-methyl-7-[(4-nitrophenyl)methoxy]-2-oxo-2H-chromen-3-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8216
methyl 2-{4-methyl-7-[(4-nitrophenyl)methoxy]-2-oxo-2H-chromen-3-yl}acetate

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

Y040-8216

Molecular Formula

C20H17NO7 (C20 H17 NO7)

Compound Name

methyl 2-{4-methyl-7-[(4-nitrophenyl)methoxy]-2-oxo-2H-chromen-3-yl}acetate

IUPAC name

methyl 2-{4-methyl-7-[(4-nitrophenyl)methoxy]-2-oxo-2H-chromen-3-yl}acetate

SMILES

CC(c(ccc(OCc(cc1)ccc1[N+]([O-])=O)c1)c1O1)=C(CC(OC)=O)C1=O

InChI

InChI=1S/C20H17NO7/c1-12-16-8-7-15(27-11-13-3-5-14(6-4-13)21(24)25)9-18(16)28-20(23)17(12)10-19(22)26-2/h3-9H,10-11H2,1-2H3

InChI Key

QVHSHWFFASTYDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04021452

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.36

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.419

Distribution Coefficient, logD

3.419

Water Solubility, LogSw

-3.90

Polar Surface Area

82.348

Acid Dissociation Constant (pKa)

21.64

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with Y040-8216 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8216?
Check Price and Availability of Y040-8216, 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 Y040-8216 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8216
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8216
  • 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 Y040-8216 available by request