C142-0078 Screening compound: 6-methyl 3-[2-(propan-2-yloxy)ethyl] 4-(4-methoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

C142-0078 Screening compound: 6-methyl 3-[2-(propan-2-yloxy)ethyl] 4-(4-methoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
C142-0078 Screening compound: 6-methyl 3-[2-(propan-2-yloxy)ethyl] 4-(4-methoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C142-0078
6-methyl 3-[2-(propan-2-yloxy)ethyl] 4-(4-methoxyphenyl)-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

C142-0078

Molecular Formula

C26H33NO7 (C26 H33 NO7)

Compound Name

6-methyl 3-[2-(propan-2-yloxy)ethyl] 4-(4-methoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

IUPAC name

6-methyl 3-[2-(propan-2-yloxy)ethyl] 4-(4-methoxyphenyl)-27-dimethyl-5-oxo-145678-hexahydroquinoline-36-dicarboxylate

SMILES

CC(C)OCCOC(C(C1c(cc2)ccc2OC)=C(C)NC(CC(C)C2C(OC)=O)=C1C2=O)=O

InChI

InChI=1S/C26H33NO7/c1-14(2)33-11-12-34-26(30)21-16(4)27-19-13-15(3)20(25(29)32-6)24(28)23(19)22(21)17-7-9-18(31-5)10-8-17/h7-10,14-15,20,22,27H,11-13H2,1-6H3

InChI Key

DVQVKZAYPXBBLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06194067

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.219

Distribution Coefficient, logD

-0.615

Water Solubility, LogSw

-3.45

Polar Surface Area

80.786

Acid Dissociation Constant (pKa)

3.57

Base Dissociation Constant (pKb)

-3.65

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with C142-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C142-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C142-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C142-0078
  • 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 C142-0078 available by request