1716-1933 Screening compound: pentyl 4-(3-methoxy-4-propoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

1716-1933 Screening compound: pentyl 4-(3-methoxy-4-propoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
1716-1933 Screening compound: pentyl 4-(3-methoxy-4-propoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1716-1933
pentyl 4-(3-methoxy-4-propoxyphenyl)-2,7,7-trimethyl-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

1716-1933

Molecular Formula

C28H39NO5 (C28 H39 NO5)

Compound Name

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

IUPAC name

pentyl 4-(3-methoxy-4-propoxyphenyl)-277-trimethyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CCCCCOC(C(C1c(cc2)cc(OC)c2OCCC)=C(C)NC(CC(C)(C)C2)=C1C2=O)=O

InChI

InChI=1S/C28H39NO5/c1-7-9-10-14-34-27(31)24-18(3)29-20-16-28(4,5)17-21(30)26(20)25(24)19-11-12-22(33-13-8-2)23(15-19)32-6/h11-12,15,25,29H,7-10,13-14,16-17H2,1-6H3/t25-/m0/s1

InChI Key

PZZIAMNONJYCEK-VWLOTQADSA-N

MDL Number (MFCD)

MFCD00753226

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.036

Distribution Coefficient, logD

1.749

Water Solubility, LogSw

-5.24

Polar Surface Area

60.104

Acid Dissociation Constant (pKa)

3.11

Base Dissociation Constant (pKb)

-2.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.10

References: we are preparing a list of scientific research reports with 1716-1933 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1716-1933?
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What is the minimum amount of 1716-1933 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1716-1933
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1716-1933
  • 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 1716-1933 available by request