1781-1996 Screening compound: 2-methoxyethyl 4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

1781-1996 Screening compound: 2-methoxyethyl 4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
1781-1996 Screening compound: 2-methoxyethyl 4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1781-1996
2-methoxyethyl 4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

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

1781-1996

Molecular Formula

C22H27NO6 (C22 H27 NO6)

Compound Name

2-methoxyethyl 4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

2-methoxyethyl 4-(23-dimethoxyphenyl)-2-methyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(NC(CCC1)=C(C2c(cccc3OC)c3OC)C1=O)=C2C(OCCOC)=O

InChI

InChI=1S/C22H27NO6/c1-13-18(22(25)29-12-11-26-2)19(20-15(23-13)8-6-9-16(20)24)14-7-5-10-17(27-3)21(14)28-4/h5,7,10,19,23H,6,8-9,11-12H2,1-4H3/t19-/m0/s1

InChI Key

UEECBNUWJDFWAR-IBGZPJMESA-N

MDL Number (MFCD)

MFCD00753243

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.330

Distribution Coefficient, logD

-1.565

Water Solubility, LogSw

-3.01

Polar Surface Area

68.659

Acid Dissociation Constant (pKa)

3.50

Base Dissociation Constant (pKb)

-2.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

References: we are preparing a list of scientific research reports with 1781-1996 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1781-1996
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1781-1996
  • 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 1781-1996 available by request