1781-2087 Screening compound: cyclohexyl 4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

1781-2087 Screening compound: cyclohexyl 4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
1781-2087 Screening compound: cyclohexyl 4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1781-2087
cyclohexyl 4-(4-hydroxy-3-methoxyphenyl)-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

1781-2087

Molecular Formula

C30H33NO5 (C30 H33 NO5)

Compound Name

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

IUPAC name

cyclohexyl 4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(NC(CC(C1)c2ccccc2)=C(C2c(cc3)cc(OC)c3O)C1=O)=C2C(OC1CCCCC1)=O

InChI

InChI=1S/C30H33NO5/c1-18-27(30(34)36-22-11-7-4-8-12-22)28(20-13-14-24(32)26(17-20)35-2)29-23(31-18)15-21(16-25(29)33)19-9-5-3-6-10-19/h3,5-6,9-10,13-14,17,21-22,28,31-32H,4,7-8,11-12,15-16H2,1-2H3

InChI Key

POBPEYKRVDDYQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00771561

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.821

Distribution Coefficient, logD

1.341

Water Solubility, LogSw

-5.16

Polar Surface Area

67.912

Acid Dissociation Constant (pKa)

2.92

Base Dissociation Constant (pKb)

-2.78

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.00

1781-2087 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1781-2087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1781-2087?
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What is the minimum amount of 1781-2087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1781-2087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1781-2087
  • 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 1781-2087 available by request