C142-0081 Screening compound: 6-methyl 3-(2-propoxyethyl) 4-(2H-1,3-benzodioxol-5-yl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

C142-0081 Screening compound: 6-methyl 3-(2-propoxyethyl) 4-(2H-1,3-benzodioxol-5-yl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
C142-0081 Screening compound: 6-methyl 3-(2-propoxyethyl) 4-(2H-1,3-benzodioxol-5-yl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C142-0081
6-methyl 3-(2-propoxyethyl) 4-(2H-1,3-benzodioxol-5-yl)-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

C142-0081

Molecular Formula

C26H31NO8 (C26 H31 NO8)

Compound Name

6-methyl 3-(2-propoxyethyl) 4-(2H-1,3-benzodioxol-5-yl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

IUPAC name

6-methyl 3-(2-propoxyethyl) 4-(2H-13-benzodioxol-5-yl)-27-dimethyl-5-oxo-145678-hexahydroquinoline-36-dicarboxylate

SMILES

CCCOCCOC(C(C1c(cc2)cc3c2OCO3)=C(C)NC(CC(C)C2C(OC)=O)=C1C2=O)=O

InChI

InChI=1S/C26H31NO8/c1-5-8-32-9-10-33-26(30)21-15(3)27-17-11-14(2)20(25(29)31-4)24(28)23(17)22(21)16-6-7-18-19(12-16)35-13-34-18/h6-7,12,14,20,22,27H,5,8-11,13H2,1-4H3

InChI Key

ROSBMXFMFAAMBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05029194

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.211

Distribution Coefficient, logD

-0.623

Water Solubility, LogSw

-3.35

Polar Surface Area

91.428

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 C142-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C142-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C142-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C142-0081
  • 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 C142-0081 available by request