2557-4079 Screening compound: propyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

2557-4079 Screening compound: propyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2557-4079 Screening compound: propyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2557-4079
propyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-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

2557-4079

Molecular Formula

C28H30BrNO5 (C28 H30 BrNO5)

Compound Name

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

IUPAC name

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

SMILES

CCCOC(C(C1c(cc2OCC)cc(Br)c2O)=C(C)NC(CC(C2)c3ccccc3)=C1C2=O)=O

InChI

InChI=1S/C28H30BrNO5/c1-4-11-35-28(33)24-16(3)30-21-13-18(17-9-7-6-8-10-17)14-22(31)26(21)25(24)19-12-20(29)27(32)23(15-19)34-5-2/h6-10,12,15,18,25,30,32H,4-5,11,13-14H2,1-3H3

InChI Key

CIZHBHLDOQFAAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01571730

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.45

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

6.254

Distribution Coefficient, logD

1.773

Water Solubility, LogSw

-5.31

Polar Surface Area

67.387

Acid Dissociation Constant (pKa)

2.92

Base Dissociation Constant (pKb)

-2.70

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.70

References: we are preparing a list of scientific research reports with 2557-4079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2557-4079?
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What is the minimum amount of 2557-4079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2557-4079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2557-4079
  • 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 2557-4079 available by request