8016-4504 Screening compound: N~3~-(3-fluorophenyl)-4-(2-methoxyphenyl)-2-methyl-5-oxo-7-(2-thienyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide

8016-4504 Screening compound: N~3~-(3-fluorophenyl)-4-(2-methoxyphenyl)-2-methyl-5-oxo-7-(2-thienyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
8016-4504 Screening compound: N~3~-(3-fluorophenyl)-4-(2-methoxyphenyl)-2-methyl-5-oxo-7-(2-thienyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-4504
N~3~-(3-fluorophenyl)-4-(2-methoxyphenyl)-2-methyl-5-oxo-7-(2-thienyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide

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

8016-4504

Molecular Formula

C28H25FN2O3S (C28 H25 FN2 O3 S)

Compound Name

N~3~-(3-fluorophenyl)-4-(2-methoxyphenyl)-2-methyl-5-oxo-7-(2-thienyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide

IUPAC name

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

SMILES

CC(NC(CC(C1)c2cccs2)=C(C2c(cccc3)c3OC)C1=O)=C2C(Nc1cc(F)ccc1)=O

InChI

InChI=1S/C28H25FN2O3S/c1-16-25(28(33)31-19-8-5-7-18(29)15-19)26(20-9-3-4-10-23(20)34-2)27-21(30-16)13-17(14-22(27)32)24-11-6-12-35-24/h3-12,15,17,26,30H,13-14H2,1-2H3,(H,31,33)

InChI Key

WFUQZMQFCWZETK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05856485

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.538

Distribution Coefficient, logD

3.537

Water Solubility, LogSw

-5.43

Polar Surface Area

55.390

Acid Dissociation Constant (pKa)

5.40

Base Dissociation Constant (pKb)

-0.18

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

21.43

8016-4504 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 8016-4504 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-4504?
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What is the minimum amount of 8016-4504 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-4504
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-4504
  • 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 8016-4504 available by request