C230-0076 Screening compound: 4-(2-chloro-6-fluorophenyl)-7-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

C230-0076 Screening compound: 4-(2-chloro-6-fluorophenyl)-7-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
C230-0076 Screening compound: 4-(2-chloro-6-fluorophenyl)-7-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C230-0076
4-(2-chloro-6-fluorophenyl)-7-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-2-methyl-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

C230-0076

Molecular Formula

C32H30ClFN2O5 (C32 H30 ClFN2 O5)

Compound Name

4-(2-chloro-6-fluorophenyl)-7-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

IUPAC name

4-(2-chloro-6-fluorophenyl)-7-(34-dimethoxyphenyl)-N-(4-methoxyphenyl)-2-methyl-5-oxo-145678-hexahydroquinoline-3-carboxamide

SMILES

CC(NC(CC(C1)c(cc2)cc(OC)c2OC)=C(C2c(c(F)ccc3)c3Cl)C1=O)=C2C(Nc(cc1)ccc1OC)=O

InChI

InChI=1S/C32H30ClFN2O5/c1-17-28(32(38)36-20-9-11-21(39-2)12-10-20)31(29-22(33)6-5-7-23(29)34)30-24(35-17)14-19(15-25(30)37)18-8-13-26(40-3)27(16-18)41-4/h5-13,16,19,31,35H,14-15H2,1-4H3,(H,36,38)

InChI Key

DLRHQWKURYRFLM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06193855

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

577.05

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.573

Distribution Coefficient, logD

3.762

Water Solubility, LogSw

-6.11

Polar Surface Area

69.546

Acid Dissociation Constant (pKa)

5.60

Base Dissociation Constant (pKb)

-0.21

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.00

C230-0076 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 C230-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C230-0076?
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What is the minimum amount of C230-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C230-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C230-0076
  • 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 C230-0076 available by request