C142-0017 Screening compound: 3-(2-ethoxyethyl) 6-methyl 2,7-dimethyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

C142-0017 Screening compound: 3-(2-ethoxyethyl) 6-methyl 2,7-dimethyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
C142-0017 Screening compound: 3-(2-ethoxyethyl) 6-methyl 2,7-dimethyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C142-0017
3-(2-ethoxyethyl) 6-methyl 2,7-dimethyl-4-(5-methylfuran-2-yl)-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

C142-0017

Molecular Formula

C23H29NO7 (C23 H29 NO7)

Compound Name

3-(2-ethoxyethyl) 6-methyl 2,7-dimethyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

IUPAC name

3-(2-ethoxyethyl) 6-methyl 27-dimethyl-4-(5-methylfuran-2-yl)-5-oxo-145678-hexahydroquinoline-36-dicarboxylate

SMILES

CCOCCOC(C(C1c2ccc(C)o2)=C(C)NC(CC(C)C2C(OC)=O)=C1C2=O)=O

InChI

InChI=1S/C23H29NO7/c1-6-29-9-10-30-23(27)18-14(4)24-15-11-12(2)17(22(26)28-5)21(25)19(15)20(18)16-8-7-13(3)31-16/h7-8,12,17,20,24H,6,9-11H2,1-5H3

InChI Key

ADPJUNZCXPRHHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05025459

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.863

Distribution Coefficient, logD

-1.123

Water Solubility, LogSw

-3.22

Polar Surface Area

82.111

Acid Dissociation Constant (pKa)

3.41

Base Dissociation Constant (pKb)

-3.57

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

52.20

References: we are preparing a list of scientific research reports with C142-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C142-0017?
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What is the minimum amount of C142-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C142-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C142-0017
  • 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 C142-0017 available by request