D718-1591 Screening compound: 1,3-dimethyl 5-[3-(methoxycarbonyl)-2-methyl-5-oxo-5,6-dihydro-1,6-naphthyridin-6-yl]benzene-1,3-dicarboxylate

D718-1591 Screening compound: 1,3-dimethyl 5-[3-(methoxycarbonyl)-2-methyl-5-oxo-5,6-dihydro-1,6-naphthyridin-6-yl]benzene-1,3-dicarboxylate
D718-1591 Screening compound: 1,3-dimethyl 5-[3-(methoxycarbonyl)-2-methyl-5-oxo-5,6-dihydro-1,6-naphthyridin-6-yl]benzene-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D718-1591
1,3-dimethyl 5-[3-(methoxycarbonyl)-2-methyl-5-oxo-5,6-dihydro-1,6-naphthyridin-6-yl]benzene-1,3-dicarboxylate

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

D718-1591

Molecular Formula

C21H18N2O7 (C21 H18 N2 O7)

Compound Name

1,3-dimethyl 5-[3-(methoxycarbonyl)-2-methyl-5-oxo-5,6-dihydro-1,6-naphthyridin-6-yl]benzene-1,3-dicarboxylate

IUPAC name

13-dimethyl 5-[3-(methoxycarbonyl)-2-methyl-5-oxo-56-dihydro-16-naphthyridin-6-yl]benzene-13-dicarboxylate

SMILES

Cc(c(C(OC)=O)c1)nc(C=CN2c3cc(C(OC)=O)cc(C(OC)=O)c3)c1C2=O

InChI

InChI=1S/C21H18N2O7/c1-11-15(21(27)30-4)10-16-17(22-11)5-6-23(18(16)24)14-8-12(19(25)28-2)7-13(9-14)20(26)29-3/h5-10H,1-4H3

InChI Key

KJIYVESEDPRMRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11083431

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.38

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.059

Distribution Coefficient, logD

3.059

Water Solubility, LogSw

-3.18

Polar Surface Area

89.450

Acid Dissociation Constant (pKa)

28.51

Base Dissociation Constant (pKb)

1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

D718-1591 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D718-1591 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D718-1591?
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What is the minimum amount of D718-1591 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D718-1591
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D718-1591
  • 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 D718-1591 available by request