C142-0346 Screening compound: 3-cyclopentyl 6-methyl 4-(3-methoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

C142-0346 Screening compound: 3-cyclopentyl 6-methyl 4-(3-methoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
C142-0346 Screening compound: 3-cyclopentyl 6-methyl 4-(3-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 C142-0346
3-cyclopentyl 6-methyl 4-(3-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

C142-0346

Molecular Formula

C26H31NO6 (C26 H31 NO6)

Compound Name

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

IUPAC name

3-cyclopentyl 6-methyl 4-(3-methoxyphenyl)-27-dimethyl-5-oxo-145678-hexahydroquinoline-36-dicarboxylate

SMILES

CC(CC1=C2C(c3cc(OC)ccc3)C(C(OC3CCCC3)=O)=C(C)N1)C(C(OC)=O)C2=O

InChI

InChI=1S/C26H31NO6/c1-14-12-19-23(24(28)20(14)25(29)32-4)22(16-8-7-11-18(13-16)31-3)21(15(2)27-19)26(30)33-17-9-5-6-10-17/h7-8,11,13-14,17,20,22,27H,5-6,9-10,12H2,1-4H3

InChI Key

RMEHWUIGLUBYCG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04226223

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.098

Distribution Coefficient, logD

0.264

Water Solubility, LogSw

-4.31

Polar Surface Area

72.987

Acid Dissociation Constant (pKa)

3.57

Base Dissociation Constant (pKb)

-3.74

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

50.00

C142-0346 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C142-0346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C142-0346?
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What is the minimum amount of C142-0346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C142-0346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C142-0346
  • 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 C142-0346 available by request