1630-1404 Screening compound: 2-ethoxyethyl 4-(3-methoxy-4-propoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

1630-1404 Screening compound: 2-ethoxyethyl 4-(3-methoxy-4-propoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
1630-1404 Screening compound: 2-ethoxyethyl 4-(3-methoxy-4-propoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1630-1404
2-ethoxyethyl 4-(3-methoxy-4-propoxyphenyl)-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

1630-1404

Molecular Formula

C25H33NO6 (C25 H33 NO6)

Compound Name

2-ethoxyethyl 4-(3-methoxy-4-propoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

2-ethoxyethyl 4-(3-methoxy-4-propoxyphenyl)-2-methyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CCCOc(ccc(C1C(C(CCC2)=O)=C2NC(C)=C1C(OCCOCC)=O)c1)c1OC

InChI

InChI=1S/C25H33NO6/c1-5-12-31-20-11-10-17(15-21(20)29-4)23-22(25(28)32-14-13-30-6-2)16(3)26-18-8-7-9-19(27)24(18)23/h10-11,15,23,26H,5-9,12-14H2,1-4H3/t23-/m0/s1

InChI Key

SBEAUNHGNGNSJI-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD00752911

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.631

Distribution Coefficient, logD

-0.265

Water Solubility, LogSw

-3.75

Polar Surface Area

68.081

Acid Dissociation Constant (pKa)

3.50

Base Dissociation Constant (pKb)

-2.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.00

References: we are preparing a list of scientific research reports with 1630-1404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1630-1404?
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What is the minimum amount of 1630-1404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1630-1404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1630-1404
  • 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 1630-1404 available by request