3014-4903 Screening compound: cyclohexyl 4-(3-bromo-4-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

3014-4903 Screening compound: cyclohexyl 4-(3-bromo-4-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
3014-4903 Screening compound: cyclohexyl 4-(3-bromo-4-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3014-4903
cyclohexyl 4-(3-bromo-4-methoxyphenyl)-7-(4-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

3014-4903

Molecular Formula

C31H34BrNO5 (C31 H34 BrNO5)

Compound Name

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

IUPAC name

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

SMILES

CC(NC(CC(C1)c(cc2)ccc2OC)=C(C2c(cc3)cc(Br)c3OC)C1=O)=C2C(OC1CCCCC1)=O

InChI

InChI=1S/C31H34BrNO5/c1-18-28(31(35)38-23-7-5-4-6-8-23)29(20-11-14-27(37-3)24(32)15-20)30-25(33-18)16-21(17-26(30)34)19-9-12-22(36-2)13-10-19/h9-15,21,23,29,33H,4-8,16-17H2,1-3H3

InChI Key

WKPDYGDGBFXPSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01825058

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

580.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.973

Distribution Coefficient, logD

2.492

Water Solubility, LogSw

-5.62

Polar Surface Area

58.908

Acid Dissociation Constant (pKa)

2.92

Base Dissociation Constant (pKb)

-2.78

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.90

References: we are preparing a list of scientific research reports with 3014-4903 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3014-4903?
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What is the minimum amount of 3014-4903 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3014-4903
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3014-4903
  • 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 3014-4903 available by request