2648-4235 Screening compound: 2-methylpropyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

2648-4235 Screening compound: 2-methylpropyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2648-4235 Screening compound: 2-methylpropyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-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 2648-4235
2-methylpropyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-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

2648-4235

Molecular Formula

C30H34BrNO6 (C30 H34 BrNO6)

Compound Name

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

SMILES

CCOc1cc(C2C(C(CC(C3)c(cc4)ccc4OC)=O)=C3NC(C)=C2C(OCC(C)C)=O)cc(Br)c1O

InChI

InChI=1S/C30H34BrNO6/c1-6-37-25-14-20(11-22(31)29(25)34)27-26(30(35)38-15-16(2)3)17(4)32-23-12-19(13-24(33)28(23)27)18-7-9-21(36-5)10-8-18/h7-11,14,16,19,27,32,34H,6,12-13,15H2,1-5H3

InChI Key

ZZISXLNUWTZCRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01572225

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

584.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.473

Distribution Coefficient, logD

1.993

Water Solubility, LogSw

-5.61

Polar Surface Area

75.012

Acid Dissociation Constant (pKa)

2.92

Base Dissociation Constant (pKb)

-2.70

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with 2648-4235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2648-4235?
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What is the minimum amount of 2648-4235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2648-4235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2648-4235
  • 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 2648-4235 available by request