Y509-0888 Screening compound: diethyl 4-{4-methoxy-3-[(2-nitrophenoxy)methyl]phenyl}-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate

Y509-0888 Screening compound: diethyl 4-{4-methoxy-3-[(2-nitrophenoxy)methyl]phenyl}-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate
Y509-0888 Screening compound: diethyl 4-{4-methoxy-3-[(2-nitrophenoxy)methyl]phenyl}-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y509-0888
diethyl 4-{4-methoxy-3-[(2-nitrophenoxy)methyl]phenyl}-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate

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

Y509-0888

Molecular Formula

C36H36N2O9 (C36 H36 N2 O9)

Compound Name

diethyl 4-{4-methoxy-3-[(2-nitrophenoxy)methyl]phenyl}-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate

IUPAC name

n/a

SMILES

CCOC(C(C(CC1=C2C(c(cc3)cc(COc(cccc4)c4[N+]([O-])=O)c3OC)C(C(OCC)=O)=C(C)N1)c1ccccc1)C2=O)=O

InChI

InChI=1S/C36H36N2O9/c1-5-45-35(40)30-21(3)37-26-19-25(22-12-8-7-9-13-22)32(36(41)46-6-2)34(39)33(26)31(30)23-16-17-28(44-4)24(18-23)20-47-29-15-11-10-14-27(29)38(42)43/h7-18,25,31-32,37H,5-6,19-20H2,1-4H3

InChI Key

YIVKNYGSDRLGHB-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

640.69

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

6.047

Distribution Coefficient, logD

1.824

Water Solubility, LogSw

-5.34

Polar Surface Area

113.081

Acid Dissociation Constant (pKa)

3.18

Base Dissociation Constant (pKb)

-3.78

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

30.60

References: we are preparing a list of scientific research reports with Y509-0888 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y509-0888?
Check Price and Availability of Y509-0888, 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 Y509-0888 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y509-0888
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y509-0888
  • 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 Y509-0888 available by request