8020-8527 Screening compound: ethyl 5-[3-[(3-ethoxy-4-methoxybenzyl)amino]-3-oxo-1-(3,4,5-trimethoxyphenyl)propyl]-4-hydroxy-6-oxo-1,6-dihydro-3-pyridinecarboxylate

8020-8527 Screening compound: ethyl 5-[3-[(3-ethoxy-4-methoxybenzyl)amino]-3-oxo-1-(3,4,5-trimethoxyphenyl)propyl]-4-hydroxy-6-oxo-1,6-dihydro-3-pyridinecarboxylate
8020-8527 Screening compound: ethyl 5-[3-[(3-ethoxy-4-methoxybenzyl)amino]-3-oxo-1-(3,4,5-trimethoxyphenyl)propyl]-4-hydroxy-6-oxo-1,6-dihydro-3-pyridinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-8527
ethyl 5-[3-[(3-ethoxy-4-methoxybenzyl)amino]-3-oxo-1-(3,4,5-trimethoxyphenyl)propyl]-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

8020-8527

Molecular Formula

C30H36N2O10 (C30 H36 N2 O10)

Compound Name

ethyl 5-[3-[(3-ethoxy-4-methoxybenzyl)amino]-3-oxo-1-(3,4,5-trimethoxyphenyl)propyl]-4-hydroxy-6-oxo-1,6-dihydro-3-pyridinecarboxylate

IUPAC name

ethyl 5-(2-{[(3-ethoxy-4-methoxyphenyl)methyl]carbamoyl}-1-(345-trimethoxyphenyl)ethyl)-4-hydroxy-6-oxo-16-dihydropyridine-3-carboxylate

SMILES

CCOC(C(C(O)=C1C(CC(NCc(cc2)cc(OCC)c2OC)=O)c(cc2OC)cc(OC)c2OC)=CNC1=O)=O

InChI

InChI=1S/C30H36N2O10/c1-7-41-22-11-17(9-10-21(22)37-3)15-31-25(33)14-19(18-12-23(38-4)28(40-6)24(13-18)39-5)26-27(34)20(16-32-29(26)35)30(36)42-8-2/h9-13,16,19H,7-8,14-15H2,1-6H3,(H,31,33)(H2,32,34,35)/t19-/m0/s1

InChI Key

XYDSYKLPSQADMM-IBGZPJMESA-N

MDL Number (MFCD)

MFCD30711722

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

584.62

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.680

Distribution Coefficient, logD

-0.998

Water Solubility, LogSw

-2.41

Polar Surface Area

122.577

Acid Dissociation Constant (pKa)

4.72

Base Dissociation Constant (pKb)

-2.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.67

References: we are preparing a list of scientific research reports with 8020-8527 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-8527?
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What is the minimum amount of 8020-8527 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-8527
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-8527
  • 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 8020-8527 available by request