3490-5471 Screening compound: cyclohexyl 4-(3-methoxy-4-propoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

3490-5471 Screening compound: cyclohexyl 4-(3-methoxy-4-propoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
3490-5471 Screening compound: cyclohexyl 4-(3-methoxy-4-propoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3490-5471
cyclohexyl 4-(3-methoxy-4-propoxyphenyl)-2-methyl-5-oxo-7-phenyl-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

3490-5471

Molecular Formula

C33H39NO5 (C33 H39 NO5)

Compound Name

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

IUPAC name

cyclohexyl 4-(3-methoxy-4-propoxyphenyl)-2-methyl-5-oxo-7-phenyl-145678-hexahydroquinoline-3-carboxylate

SMILES

CCCOc(ccc(C1C(C(CC(C2)c3ccccc3)=O)=C2NC(C)=C1C(OC1CCCCC1)=O)c1)c1OC

InChI

InChI=1S/C33H39NO5/c1-4-17-38-28-16-15-23(20-29(28)37-3)31-30(33(36)39-25-13-9-6-10-14-25)21(2)34-26-18-24(19-27(35)32(26)31)22-11-7-5-8-12-22/h5,7-8,11-12,15-16,20,24-25,31,34H,4,6,9-10,13-14,17-19H2,1-3H3

InChI Key

OZYKUQUTYANVDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00771572

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.68

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.260

Distribution Coefficient, logD

2.780

Water Solubility, LogSw

-5.68

Polar Surface Area

58.868

Acid Dissociation Constant (pKa)

2.92

Base Dissociation Constant (pKb)

-2.78

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.50

3490-5471 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 3490-5471 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3490-5471?
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What is the minimum amount of 3490-5471 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3490-5471
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3490-5471
  • 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 3490-5471 available by request