2406-3702 Screening compound: 2-methylpropyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

2406-3702 Screening compound: 2-methylpropyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2406-3702 Screening compound: 2-methylpropyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2406-3702
2-methylpropyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(4-chlorophenyl)-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

2406-3702

Molecular Formula

C29H31BrClNO5 (C29 H31 BrClNO5)

Compound Name

2-methylpropyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

2-methylpropyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CCOc1cc(C2C(C(CC(C3)c(cc4)ccc4Cl)=O)=C3NC(C)=C2C(OCC(C)C)=O)cc(Br)c1O

InChI

InChI=1S/C29H31BrClNO5/c1-5-36-24-13-19(10-21(30)28(24)34)26-25(29(35)37-14-15(2)3)16(4)32-22-11-18(12-23(33)27(22)26)17-6-8-20(31)9-7-17/h6-10,13,15,18,26,32,34H,5,11-12,14H2,1-4H3

InChI Key

LQNXCHSXPRFQIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01471041

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

588.93

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.086

Distribution Coefficient, logD

2.605

Water Solubility, LogSw

-6.20

Polar Surface Area

67.468

Acid Dissociation Constant (pKa)

2.92

Base Dissociation Constant (pKb)

-2.70

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.90

References: we are preparing a list of scientific research reports with 2406-3702 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2406-3702?
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What is the minimum amount of 2406-3702 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2406-3702
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2406-3702
  • 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 2406-3702 available by request