8018-4090 Screening compound: methyl 4-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate

8018-4090 Screening compound: methyl 4-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
8018-4090 Screening compound: methyl 4-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-4090
methyl 4-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate

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

8018-4090

Molecular Formula

C15H14ClFN2O4 (C15 H14 ClFN2 O4)

Compound Name

methyl 4-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate

IUPAC name

methyl 4-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-6-oxo-1456-tetrahydropyridine-3-carboxylate

SMILES

CC(NC(CC1C(Nc(cc2)cc(Cl)c2F)=O)=O)=C1C(OC)=O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.74

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.601

Distribution Coefficient, logD

0.760

Water Solubility, LogSw

-2.50

Polar Surface Area

68.976

Acid Dissociation Constant (pKa)

6.63

Base Dissociation Constant (pKb)

1.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.70

8018-4090 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 8018-4090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-4090?
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What is the minimum amount of 8018-4090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-4090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-4090
  • 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 8018-4090 available by request