C230-0069 Screening compound: 7-(3,4-dimethoxyphenyl)-2-methyl-N-(4-methylphenyl)-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

C230-0069 Screening compound: 7-(3,4-dimethoxyphenyl)-2-methyl-N-(4-methylphenyl)-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
C230-0069 Screening compound: 7-(3,4-dimethoxyphenyl)-2-methyl-N-(4-methylphenyl)-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C230-0069
7-(3,4-dimethoxyphenyl)-2-methyl-N-(4-methylphenyl)-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

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

C230-0069

Molecular Formula

C32H31N3O6 (C32 H31 N3 O6)

Compound Name

7-(3,4-dimethoxyphenyl)-2-methyl-N-(4-methylphenyl)-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

IUPAC name

7-(34-dimethoxyphenyl)-2-methyl-N-(4-methylphenyl)-4-(3-nitrophenyl)-5-oxo-145678-hexahydroquinoline-3-carboxamide

SMILES

Cc(cc1)ccc1NC(C(C1c2cccc([N+]([O-])=O)c2)=C(C)NC(CC(C2)c(cc3)cc(OC)c3OC)=C1C2=O)=O

InChI

InChI=1S/C32H31N3O6/c1-18-8-11-23(12-9-18)34-32(37)29-19(2)33-25-15-22(20-10-13-27(40-3)28(17-20)41-4)16-26(36)31(25)30(29)21-6-5-7-24(14-21)35(38)39/h5-14,17,22,30,33H,15-16H2,1-4H3,(H,34,37)

InChI Key

LQFNVGRJLJSFHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05994099

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

553.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.421

Distribution Coefficient, logD

3.286

Water Solubility, LogSw

-5.42

Polar Surface Area

95.383

Acid Dissociation Constant (pKa)

5.27

Base Dissociation Constant (pKb)

1.66

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.00

C230-0069 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 C230-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C230-0069?
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What is the minimum amount of C230-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C230-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C230-0069
  • 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 C230-0069 available by request