4223-6927 Screening compound: propan-2-yl 4-(2,4-dichlorophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

4223-6927 Screening compound: propan-2-yl 4-(2,4-dichlorophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
4223-6927 Screening compound: propan-2-yl 4-(2,4-dichlorophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4223-6927
propan-2-yl 4-(2,4-dichlorophenyl)-7-(3,4-dimethoxyphenyl)-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

4223-6927

Molecular Formula

C28H29Cl2NO5 (C28 H29 Cl2 NO5)

Compound Name

propan-2-yl 4-(2,4-dichlorophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

propan-2-yl 4-(24-dichlorophenyl)-7-(34-dimethoxyphenyl)-2-methyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(C)OC(C(C1c(ccc(Cl)c2)c2Cl)=C(C)NC(CC(C2)c(cc3)cc(OC)c3OC)=C1C2=O)=O

InChI

InChI=1S/C28H29Cl2NO5/c1-14(2)36-28(33)25-15(3)31-21-10-17(16-6-9-23(34-4)24(12-16)35-5)11-22(32)27(21)26(25)19-8-7-18(29)13-20(19)30/h6-9,12-14,17,26,31H,10-11H2,1-5H3

InChI Key

LMOVYNIAHXAJTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02224198

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

530.45

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

6.624

Distribution Coefficient, logD

2.307

Water Solubility, LogSw

-6.35

Polar Surface Area

59.343

Acid Dissociation Constant (pKa)

3.08

Base Dissociation Constant (pKb)

-3.34

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.70

4223-6927 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 4223-6927 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4223-6927?
Check Price and Availability of 4223-6927, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4223-6927 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4223-6927
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4223-6927
  • 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 4223-6927 available by request