C230-0002 Screening compound: 7-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

C230-0002 Screening compound: 7-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
C230-0002 Screening compound: 7-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C230-0002
7-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-N-(2-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

C230-0002

Molecular Formula

C32H31FN2O5 (C32 H31 FN2 O5)

Compound Name

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

IUPAC name

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

SMILES

CC(NC(CC(C1)c(cc2)cc(OC)c2OC)=C(C2c(cc3)ccc3F)C1=O)=C2C(Nc(cccc1)c1OC)=O

InChI

InChI=1S/C32H31FN2O5/c1-18-29(32(37)35-23-7-5-6-8-26(23)38-2)30(19-9-12-22(33)13-10-19)31-24(34-18)15-21(16-25(31)36)20-11-14-27(39-3)28(17-20)40-4/h5-14,17,21,30,34H,15-16H2,1-4H3,(H,35,37)

InChI Key

ZBHHUQMYGXTWTB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05996204

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

542.61

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

5.113

Distribution Coefficient, logD

2.979

Water Solubility, LogSw

-5.06

Polar Surface Area

68.934

Acid Dissociation Constant (pKa)

5.27

Base Dissociation Constant (pKb)

2.19

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.00

C230-0002 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 C230-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C230-0002?
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What is the minimum amount of C230-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C230-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C230-0002
  • 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 C230-0002 available by request