8017-7598 Screening compound: 8,9-dimethoxy-2,4-dimethyl-5-oxo-5,6-dihydrobenzo[c][2,7]naphthyridine-1-carboxylic acid

8017-7598 Screening compound: 8,9-dimethoxy-2,4-dimethyl-5-oxo-5,6-dihydrobenzo[c][2,7]naphthyridine-1-carboxylic acid
8017-7598 Screening compound: 8,9-dimethoxy-2,4-dimethyl-5-oxo-5,6-dihydrobenzo[c][2,7]naphthyridine-1-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-7598
8,9-dimethoxy-2,4-dimethyl-5-oxo-5,6-dihydrobenzo[c][2,7]naphthyridine-1-carboxylic acid

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

8017-7598

Molecular Formula

C17H16N2O5 (C17 H16 N2 O5)

Compound Name

8,9-dimethoxy-2,4-dimethyl-5-oxo-5,6-dihydrobenzo[c][2,7]naphthyridine-1-carboxylic acid

IUPAC name

89-dimethoxy-24-dimethyl-5-oxo-5H6H-benzo[c]27-naphthyridine-1-carboxylic acid

SMILES

Cc(nc1C)c(C(O)=O)c(-c(cc(c(OC)c2)OC)c2N2)c1C2=O

InChI

InChI=1S/C17H16N2O5/c1-7-13-15(14(17(21)22)8(2)18-7)9-5-11(23-3)12(24-4)6-10(9)19-16(13)20/h5-6H,1-4H3,(H,19,20)(H,21,22)

InChI Key

AJNOEQYSEAIMOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06617970

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.642

Distribution Coefficient, logD

-0.458

Water Solubility, LogSw

-2.30

Polar Surface Area

78.283

Acid Dissociation Constant (pKa)

5.30

Base Dissociation Constant (pKb)

0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.53

8017-7598 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8017-7598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-7598?
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What is the minimum amount of 8017-7598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-7598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-7598
  • 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 8017-7598 available by request