C230-0097 Screening compound: 7-(3,4-dimethoxyphenyl)-2-methyl-N-(4-methylphenyl)-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

C230-0097 Screening compound: 7-(3,4-dimethoxyphenyl)-2-methyl-N-(4-methylphenyl)-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
C230-0097 Screening compound: 7-(3,4-dimethoxyphenyl)-2-methyl-N-(4-methylphenyl)-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C230-0097
7-(3,4-dimethoxyphenyl)-2-methyl-N-(4-methylphenyl)-5-oxo-4-(thiophen-2-yl)-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

C230-0097

Molecular Formula

C30H30N2O4S (C30 H30 N2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1NC(C(C1c2cccs2)=C(C)NC(CC(C2)c(cc3)cc(OC)c3OC)=C1C2=O)=O

InChI

InChI=1S/C30H30N2O4S/c1-17-7-10-21(11-8-17)32-30(34)27-18(2)31-22-14-20(19-9-12-24(35-3)25(16-19)36-4)15-23(33)28(22)29(27)26-6-5-13-37-26/h5-13,16,20,29,31H,14-15H2,1-4H3,(H,32,34)

InChI Key

NWFJWXGQZMBDHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06194052

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.65

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.261

Distribution Coefficient, logD

2.975

Water Solubility, LogSw

-5.10

Polar Surface Area

63.020

Acid Dissociation Constant (pKa)

5.12

Base Dissociation Constant (pKb)

1.40

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.70

C230-0097 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 C230-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C230-0097?
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What is the minimum amount of C230-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C230-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C230-0097
  • 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 C230-0097 available by request