Y501-0498 Screening compound: 4-{3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl}-2,7,7-trimethyl-N-(5-methyl-2-pyridyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide

Y501-0498 Screening compound: 4-{3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl}-2,7,7-trimethyl-N-(5-methyl-2-pyridyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
Y501-0498 Screening compound: 4-{3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl}-2,7,7-trimethyl-N-(5-methyl-2-pyridyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-0498
4-{3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl}-2,7,7-trimethyl-N-(5-methyl-2-pyridyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide

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

Y501-0498

Molecular Formula

C33H33FN4O6 (C33 H33 FN4 O6)

Compound Name

4-{3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl}-2,7,7-trimethyl-N-(5-methyl-2-pyridyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide

IUPAC name

4-{3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl}-277-trimethyl-N-(5-methylpyridin-2-yl)-5-oxo-145678-hexahydroquinoline-3-carboxamide

SMILES

CC(C)(C1)CC(NC(C)=C(C2c(cc3)cc(COc(cc(cc4)F)c4[N+]([O-])=O)c3OC)C(Nc3ncc(C)cc3)=O)=C2C1=O

InChI

InChI=1S/C33H33FN4O6/c1-18-6-11-28(35-16-18)37-32(40)29-19(2)36-23-14-33(3,4)15-25(39)31(23)30(29)20-7-10-26(43-5)21(12-20)17-44-27-13-22(34)8-9-24(27)38(41)42/h6-13,16,30,36H,14-15,17H2,1-5H3,(H,35,37,40)/t30-/m0/s1

InChI Key

AHVXJUBIJSHKKO-PMERELPUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

600.65

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.813

Distribution Coefficient, logD

3.783

Water Solubility, LogSw

-5.45

Polar Surface Area

104.742

Acid Dissociation Constant (pKa)

5.37

Base Dissociation Constant (pKb)

4.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.30

References: we are preparing a list of scientific research reports with Y501-0498 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-0498?
Check Price and Availability of Y501-0498, 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 Y501-0498 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-0498
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-0498
  • 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 Y501-0498 available by request