1716-1925 Screening compound: prop-2-en-1-yl 4-(4-ethoxy-3-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

1716-1925 Screening compound: prop-2-en-1-yl 4-(4-ethoxy-3-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
1716-1925 Screening compound: prop-2-en-1-yl 4-(4-ethoxy-3-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1716-1925
prop-2-en-1-yl 4-(4-ethoxy-3-methoxyphenyl)-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

1716-1925

Molecular Formula

C23H27NO5 (C23 H27 NO5)

Compound Name

prop-2-en-1-yl 4-(4-ethoxy-3-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

prop-2-en-1-yl 4-(4-ethoxy-3-methoxyphenyl)-2-methyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CCOc(ccc(C1C(C(CCC2)=O)=C2NC(C)=C1C(OCC=C)=O)c1)c1OC

InChI

InChI=1S/C23H27NO5/c1-5-12-29-23(26)20-14(3)24-16-8-7-9-17(25)22(16)21(20)15-10-11-18(28-6-2)19(13-15)27-4/h5,10-11,13,21,24H,1,6-9,12H2,2-4H3/t21-/m0/s1

InChI Key

OUAOTNJQFNULNJ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD00753051

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.224

Distribution Coefficient, logD

-0.414

Water Solubility, LogSw

-3.38

Polar Surface Area

59.810

Acid Dissociation Constant (pKa)

3.76

Base Dissociation Constant (pKb)

-2.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

1716-1925 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1716-1925 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1716-1925?
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What is the minimum amount of 1716-1925 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1716-1925
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1716-1925
  • 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 1716-1925 available by request