4781-0070 Screening compound: ethyl 2-{[1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinolin-3-yl]formamido}acetate

4781-0070 Screening compound: ethyl 2-{[1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinolin-3-yl]formamido}acetate
4781-0070 Screening compound: ethyl 2-{[1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinolin-3-yl]formamido}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4781-0070
ethyl 2-{[1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinolin-3-yl]formamido}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

4781-0070

Molecular Formula

C23H26N2O6 (C23 H26 N2 O6)

Compound Name

ethyl 2-{[1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinolin-3-yl]formamido}acetate

IUPAC name

ethyl 2-{[1-(4-methoxyphenyl)-77-dimethyl-25-dioxo-125678-hexahydroquinolin-3-yl]formamido}acetate

SMILES

CCOC(CNC(C1=CC(C(CC(C)(C)C2)=O)=C2N(c(cc2)ccc2OC)C1=O)=O)=O

InChI

InChI=1S/C23H26N2O6/c1-5-31-20(27)13-24-21(28)17-10-16-18(11-23(2,3)12-19(16)26)25(22(17)29)14-6-8-15(30-4)9-7-14/h6-10H,5,11-13H2,1-4H3,(H,24,28)

InChI Key

CMCAWQHMPYOHQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04138389

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.887

Distribution Coefficient, logD

1.886

Water Solubility, LogSw

-2.39

Polar Surface Area

80.967

Acid Dissociation Constant (pKa)

10.55

Base Dissociation Constant (pKb)

-3.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

References: we are preparing a list of scientific research reports with 4781-0070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4781-0070?
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What is the minimum amount of 4781-0070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4781-0070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4781-0070
  • 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 4781-0070 available by request