C230-0209 Screening compound: 4-(2H-1,3-benzodioxol-5-yl)-7-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

C230-0209 Screening compound: 4-(2H-1,3-benzodioxol-5-yl)-7-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
C230-0209 Screening compound: 4-(2H-1,3-benzodioxol-5-yl)-7-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C230-0209
4-(2H-1,3-benzodioxol-5-yl)-7-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylphenyl)-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

C230-0209

Molecular Formula

C33H32N2O6 (C33 H32 N2 O6)

Compound Name

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

IUPAC name

4-(2H-13-benzodioxol-5-yl)-7-(34-dimethoxyphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-145678-hexahydroquinoline-3-carboxamide

SMILES

Cc(cccc1)c1NC(C(C1c(cc2)cc3c2OCO3)=C(C)NC(CC(C2)c(cc3)cc(OC)c3OC)=C1C2=O)=O

InChI

InChI=1S/C33H32N2O6/c1-18-7-5-6-8-23(18)35-33(37)30-19(2)34-24-13-22(20-9-11-26(38-3)28(15-20)39-4)14-25(36)32(24)31(30)21-10-12-27-29(16-21)41-17-40-27/h5-12,15-16,22,31,34H,13-14,17H2,1-4H3,(H,35,37)

InChI Key

QFLZUQODKRTDAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05996209

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

552.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.079

Distribution Coefficient, logD

2.944

Water Solubility, LogSw

-4.92

Polar Surface Area

78.419

Acid Dissociation Constant (pKa)

5.27

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.30

C230-0209 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C230-0209 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C230-0209?
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What is the minimum amount of C230-0209 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C230-0209
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C230-0209
  • 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 C230-0209 available by request