D718-1588 Screening compound: methyl 6-[4-chloro-3-(trifluoromethyl)phenyl]-2-methyl-5-oxo-5,6-dihydro-1,6-naphthyridine-3-carboxylate

D718-1588 Screening compound: methyl 6-[4-chloro-3-(trifluoromethyl)phenyl]-2-methyl-5-oxo-5,6-dihydro-1,6-naphthyridine-3-carboxylate
D718-1588 Screening compound: methyl 6-[4-chloro-3-(trifluoromethyl)phenyl]-2-methyl-5-oxo-5,6-dihydro-1,6-naphthyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D718-1588
methyl 6-[4-chloro-3-(trifluoromethyl)phenyl]-2-methyl-5-oxo-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

D718-1588

Molecular Formula

C18H12ClF3N2O3 (C18 H12 ClF3 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc(c(C(OC)=O)c1)nc(C=CN2c(cc3)cc(C(F)(F)F)c3Cl)c1C2=O

InChI

InChI=1S/C18H12ClF3N2O3/c1-9-11(17(26)27-2)8-12-15(23-9)5-6-24(16(12)25)10-3-4-14(19)13(7-10)18(20,21)22/h3-8H,1-2H3

InChI Key

OEZSDBPATWGKPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11083427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.75

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.295

Distribution Coefficient, logD

4.295

Water Solubility, LogSw

-4.70

Polar Surface Area

47.103

Acid Dissociation Constant (pKa)

28.51

Base Dissociation Constant (pKb)

1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D718-1588 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D718-1588 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D718-1588?
Check Price and Availability of D718-1588, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D718-1588 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D718-1588
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D718-1588
  • 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 D718-1588 available by request