8020-8541 Screening compound: ethyl 5-[3-[(4-fluorophenethyl)amino]-1-(3-hydroxy-4-methoxyphenyl)-3-oxopropyl]-4-hydroxy-6-oxo-1,6-dihydro-3-pyridinecarboxylate

8020-8541 Screening compound: ethyl 5-[3-[(4-fluorophenethyl)amino]-1-(3-hydroxy-4-methoxyphenyl)-3-oxopropyl]-4-hydroxy-6-oxo-1,6-dihydro-3-pyridinecarboxylate
8020-8541 Screening compound: ethyl 5-[3-[(4-fluorophenethyl)amino]-1-(3-hydroxy-4-methoxyphenyl)-3-oxopropyl]-4-hydroxy-6-oxo-1,6-dihydro-3-pyridinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-8541
ethyl 5-[3-[(4-fluorophenethyl)amino]-1-(3-hydroxy-4-methoxyphenyl)-3-oxopropyl]-4-hydroxy-6-oxo-1,6-dihydro-3-pyridinecarboxylate

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

8020-8541

Molecular Formula

C26H27FN2O7 (C26 H27 FN2 O7)

Compound Name

ethyl 5-[3-[(4-fluorophenethyl)amino]-1-(3-hydroxy-4-methoxyphenyl)-3-oxopropyl]-4-hydroxy-6-oxo-1,6-dihydro-3-pyridinecarboxylate

IUPAC name

ethyl 5-(2-{[2-(4-fluorophenyl)ethyl]carbamoyl}-1-(3-hydroxy-4-methoxyphenyl)ethyl)-4-hydroxy-6-oxo-16-dihydropyridine-3-carboxylate

SMILES

CCOC(C(C(O)=C1C(CC(NCCc(cc2)ccc2F)=O)c(cc2)cc(O)c2OC)=CNC1=O)=O

InChI

InChI=1S/C26H27FN2O7/c1-3-36-26(34)19-14-29-25(33)23(24(19)32)18(16-6-9-21(35-2)20(30)12-16)13-22(31)28-11-10-15-4-7-17(27)8-5-15/h4-9,12,14,18,30H,3,10-11,13H2,1-2H3,(H,28,31)(H2,29,32,33)/t18-/m0/s1

InChI Key

BTMXLKJDIGYNRW-SFHVURJKSA-N

MDL Number (MFCD)

MFCD30711736

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.401

Distribution Coefficient, logD

-1.276

Water Solubility, LogSw

-2.18

Polar Surface Area

108.778

Acid Dissociation Constant (pKa)

4.72

Base Dissociation Constant (pKb)

-1.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.92

References: we are preparing a list of scientific research reports with 8020-8541 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-8541?
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What is the minimum amount of 8020-8541 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-8541
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-8541
  • 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 8020-8541 available by request