C142-0142 Screening compound: 6-methyl 3-(2-propoxyethyl) 4-[4-(dimethylamino)phenyl]-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

C142-0142 Screening compound: 6-methyl 3-(2-propoxyethyl) 4-[4-(dimethylamino)phenyl]-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
C142-0142 Screening compound: 6-methyl 3-(2-propoxyethyl) 4-[4-(dimethylamino)phenyl]-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C142-0142
6-methyl 3-(2-propoxyethyl) 4-[4-(dimethylamino)phenyl]-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

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

C142-0142

Molecular Formula

C27H36N2O6 (C27 H36 N2 O6)

Compound Name

6-methyl 3-(2-propoxyethyl) 4-[4-(dimethylamino)phenyl]-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

IUPAC name

6-methyl 3-(2-propoxyethyl) 4-[4-(dimethylamino)phenyl]-27-dimethyl-5-oxo-145678-hexahydroquinoline-36-dicarboxylate

SMILES

CCCOCCOC(C(C1c(cc2)ccc2N(C)C)=C(C)NC(CC(C)C2C(OC)=O)=C1C2=O)=O

InChI

InChI=1S/C27H36N2O6/c1-7-12-34-13-14-35-27(32)22-17(3)28-20-15-16(2)21(26(31)33-6)25(30)24(20)23(22)18-8-10-19(11-9-18)29(4)5/h8-11,16,21,23,28H,7,12-15H2,1-6H3

InChI Key

NEYCGFFNVFDSRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06193917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.348

Distribution Coefficient, logD

-0.486

Water Solubility, LogSw

-3.55

Polar Surface Area

77.118

Acid Dissociation Constant (pKa)

3.57

Base Dissociation Constant (pKb)

8.90

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

51.90

References: we are preparing a list of scientific research reports with C142-0142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C142-0142?
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What is the minimum amount of C142-0142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C142-0142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C142-0142
  • 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 C142-0142 available by request