1716-1921 Screening compound: 2-ethoxyethyl 2,7,7-trimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

1716-1921 Screening compound: 2-ethoxyethyl 2,7,7-trimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
1716-1921 Screening compound: 2-ethoxyethyl 2,7,7-trimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1716-1921
2-ethoxyethyl 2,7,7-trimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-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

1716-1921

Molecular Formula

C26H35NO7 (C26 H35 NO7)

Compound Name

2-ethoxyethyl 2,7,7-trimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

2-ethoxyethyl 277-trimethyl-5-oxo-4-(345-trimethoxyphenyl)-145678-hexahydroquinoline-3-carboxylate

SMILES

CCOCCOC(C(C1c(cc2OC)cc(OC)c2OC)=C(C)NC(CC(C)(C)C2)=C1C2=O)=O

InChI

InChI=1S/C26H35NO7/c1-8-33-9-10-34-25(29)21-15(2)27-17-13-26(3,4)14-18(28)23(17)22(21)16-11-19(30-5)24(32-7)20(12-16)31-6/h11-12,22,27H,8-10,13-14H2,1-7H3/t22-/m0/s1

InChI Key

JKOMXYBJVYMDEV-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD00753401

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.358

Distribution Coefficient, logD

-0.929

Water Solubility, LogSw

-3.50

Polar Surface Area

75.924

Acid Dissociation Constant (pKa)

3.11

Base Dissociation Constant (pKb)

-2.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.80

References: we are preparing a list of scientific research reports with 1716-1921 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1716-1921?
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What is the minimum amount of 1716-1921 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1716-1921
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1716-1921
  • 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 1716-1921 available by request