C142-0155 Screening compound: 6-methyl 3-propyl 4-(3-hydroxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

C142-0155 Screening compound: 6-methyl 3-propyl 4-(3-hydroxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
C142-0155 Screening compound: 6-methyl 3-propyl 4-(3-hydroxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C142-0155
6-methyl 3-propyl 4-(3-hydroxyphenyl)-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

C142-0155

Molecular Formula

C23H27NO6 (C23 H27 NO6)

Compound Name

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

IUPAC name

6-methyl 3-propyl 4-(3-hydroxyphenyl)-27-dimethyl-5-oxo-145678-hexahydroquinoline-36-dicarboxylate

SMILES

CCCOC(C(C1c2cc(O)ccc2)=C(C)NC(CC(C)C2C(OC)=O)=C1C2=O)=O

InChI

InChI=1S/C23H27NO6/c1-5-9-30-23(28)18-13(3)24-16-10-12(2)17(22(27)29-4)21(26)20(16)19(18)14-7-6-8-15(25)11-14/h6-8,11-12,17,19,24-25H,5,9-10H2,1-4H3

InChI Key

QAMQWUITDSRAEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06194019

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.384

Distribution Coefficient, logD

-0.450

Water Solubility, LogSw

-3.32

Polar Surface Area

83.659

Acid Dissociation Constant (pKa)

3.57

Base Dissociation Constant (pKb)

-3.65

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

43.50

C142-0155 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 C142-0155 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C142-0155?
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What is the minimum amount of C142-0155 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C142-0155
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C142-0155
  • 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 C142-0155 available by request