8016-4767 Screening compound: N~3~-(4-fluorophenyl)-2-methyl-4-(4-methylphenyl)-5-oxo-7-(2-thienyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide

8016-4767 Screening compound: N~3~-(4-fluorophenyl)-2-methyl-4-(4-methylphenyl)-5-oxo-7-(2-thienyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
8016-4767 Screening compound: N~3~-(4-fluorophenyl)-2-methyl-4-(4-methylphenyl)-5-oxo-7-(2-thienyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-4767
N~3~-(4-fluorophenyl)-2-methyl-4-(4-methylphenyl)-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

8016-4767

Molecular Formula

C28H25FN2O2S (C28 H25 FN2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(C2C(C(CC(C3)c4cccs4)=O)=C3NC(C)=C2C(Nc(cc2)ccc2F)=O)cc1

InChI

InChI=1S/C28H25FN2O2S/c1-16-5-7-18(8-6-16)26-25(28(33)31-21-11-9-20(29)10-12-21)17(2)30-22-14-19(15-23(32)27(22)26)24-4-3-13-34-24/h3-13,19,26,30H,14-15H2,1-2H3,(H,31,33)

InChI Key

UGWXEXUCVFLPAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05856706

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.58

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.630

Distribution Coefficient, logD

3.629

Water Solubility, LogSw

-5.49

Polar Surface Area

47.759

Acid Dissociation Constant (pKa)

5.40

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

21.43

8016-4767 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 8016-4767 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-4767?
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What is the minimum amount of 8016-4767 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-4767
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-4767
  • 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 8016-4767 available by request