C142-0243 Screening compound: 3-(2-ethoxyethyl) 6-methyl 2,7-dimethyl-4-(4-methyl-3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

C142-0243 Screening compound: 3-(2-ethoxyethyl) 6-methyl 2,7-dimethyl-4-(4-methyl-3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
C142-0243 Screening compound: 3-(2-ethoxyethyl) 6-methyl 2,7-dimethyl-4-(4-methyl-3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C142-0243
3-(2-ethoxyethyl) 6-methyl 2,7-dimethyl-4-(4-methyl-3-nitrophenyl)-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

C142-0243

Molecular Formula

C25H30N2O8 (C25 H30 N2 O8)

Compound Name

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

IUPAC name

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

SMILES

CCOCCOC(C(C1c2cc([N+]([O-])=O)c(C)cc2)=C(C)NC(CC(C)C2C(OC)=O)=C1C2=O)=O

InChI

InChI=1S/C25H30N2O8/c1-6-34-9-10-35-25(30)20-15(4)26-17-11-14(3)19(24(29)33-5)23(28)22(17)21(20)16-8-7-13(2)18(12-16)27(31)32/h7-8,12,14,19,21,26H,6,9-11H2,1-5H3

InChI Key

RKGTTWCPKNBJOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06194090

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.52

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.445

Distribution Coefficient, logD

-0.389

Water Solubility, LogSw

-3.80

Polar Surface Area

107.099

Acid Dissociation Constant (pKa)

3.57

Base Dissociation Constant (pKb)

-3.65

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

48.00

References: we are preparing a list of scientific research reports with C142-0243 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C142-0243?
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What is the minimum amount of C142-0243 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C142-0243
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C142-0243
  • 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 C142-0243 available by request