8020-0168 Screening compound: methyl 2-methyl-5-oxo-6-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-1,6-naphthyridine-3-carboxylate

8020-0168 Screening compound: methyl 2-methyl-5-oxo-6-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-1,6-naphthyridine-3-carboxylate
8020-0168 Screening compound: methyl 2-methyl-5-oxo-6-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-1,6-naphthyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-0168
methyl 2-methyl-5-oxo-6-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-1,6-naphthyridine-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

8020-0168

Molecular Formula

C18H13F3N2O4 (C18 H13 F3 N2 O4)

Compound Name

methyl 2-methyl-5-oxo-6-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-1,6-naphthyridine-3-carboxylate

IUPAC name

methyl 2-methyl-5-oxo-6-[4-(trifluoromethoxy)phenyl]-56-dihydro-16-naphthyridine-3-carboxylate

SMILES

Cc(c(C(OC)=O)c1)nc(C=CN2c(cc3)ccc3OC(F)(F)F)c1C2=O

InChI

InChI=1S/C18H13F3N2O4/c1-10-13(17(25)26-2)9-14-15(22-10)7-8-23(16(14)24)11-3-5-12(6-4-11)27-18(19,20)21/h3-9H,1-2H3

InChI Key

LLXDSROIEYZCCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11083416

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.030

Distribution Coefficient, logD

4.030

Water Solubility, LogSw

-4.39

Polar Surface Area

53.039

Acid Dissociation Constant (pKa)

28.51

Base Dissociation Constant (pKb)

1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8020-0168 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8020-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-0168?
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What is the minimum amount of 8020-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-0168
  • 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 8020-0168 available by request