2984-4729 Screening compound: propyl 4-(2,3-dichlorophenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

2984-4729 Screening compound: propyl 4-(2,3-dichlorophenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2984-4729 Screening compound: propyl 4-(2,3-dichlorophenyl)-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 2984-4729
propyl 4-(2,3-dichlorophenyl)-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

2984-4729

Molecular Formula

C27H27Cl2NO4 (C27 H27 Cl2 NO4)

Compound Name

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

IUPAC name

propyl 4-(23-dichlorophenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CCCOC(C(C1c2cccc(Cl)c2Cl)=C(C)NC(CC(C2)c(cc3)ccc3OC)=C1C2=O)=O

InChI

InChI=1S/C27H27Cl2NO4/c1-4-12-34-27(32)23-15(2)30-21-13-17(16-8-10-18(33-3)11-9-16)14-22(31)25(21)24(23)19-6-5-7-20(28)26(19)29/h5-11,17,24,30H,4,12-14H2,1-3H3

InChI Key

OFYPQFNDZUJEBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01824380

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.896

Distribution Coefficient, logD

2.579

Water Solubility, LogSw

-6.58

Polar Surface Area

52.241

Acid Dissociation Constant (pKa)

3.08

Base Dissociation Constant (pKb)

-3.25

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

2984-4729 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2984-4729 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2984-4729?
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What is the minimum amount of 2984-4729 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2984-4729
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2984-4729
  • 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 2984-4729 available by request