C142-0233 Screening compound: 6-methyl 3-[2-(propan-2-yloxy)ethyl] 4-(4-fluorophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

C142-0233 Screening compound: 6-methyl 3-[2-(propan-2-yloxy)ethyl] 4-(4-fluorophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
C142-0233 Screening compound: 6-methyl 3-[2-(propan-2-yloxy)ethyl] 4-(4-fluorophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C142-0233
6-methyl 3-[2-(propan-2-yloxy)ethyl] 4-(4-fluorophenyl)-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

C142-0233

Molecular Formula

C25H30FNO6 (C25 H30 FNO6)

Compound Name

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

SMILES

CC(C)OCCOC(C(C1c(cc2)ccc2F)=C(C)NC(CC(C)C2C(OC)=O)=C1C2=O)=O

InChI

InChI=1S/C25H30FNO6/c1-13(2)32-10-11-33-25(30)20-15(4)27-18-12-14(3)19(24(29)31-5)23(28)22(18)21(20)16-6-8-17(26)9-7-16/h6-9,13-14,19,21,27H,10-12H2,1-5H3

InChI Key

MVSMPYLKZFYAQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05031594

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.265

Distribution Coefficient, logD

-0.569

Water Solubility, LogSw

-3.45

Polar Surface Area

73.243

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 C142-0233 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C142-0233?
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What is the minimum amount of C142-0233 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C142-0233
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C142-0233
  • 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 C142-0233 available by request