3615-0046 Screening compound: 3-{3-methoxy-4-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)oxy]phenyl}benzo[f]quinoline-1-carboxylic acid

3615-0046 Screening compound: 3-{3-methoxy-4-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)oxy]phenyl}benzo[f]quinoline-1-carboxylic acid
3615-0046 Screening compound: 3-{3-methoxy-4-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)oxy]phenyl}benzo[f]quinoline-1-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3615-0046
3-{3-methoxy-4-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)oxy]phenyl}benzo[f]quinoline-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

3615-0046

Molecular Formula

C29H23N5O6 (C29 H23 N5 O6)

Compound Name

3-{3-methoxy-4-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)oxy]phenyl}benzo[f]quinoline-1-carboxylic acid

IUPAC name

3-{3-methoxy-4-[(137-trimethyl-26-dioxo-2367-tetrahydro-1H-purin-8-yl)oxy]phenyl}benzo[f]quinoline-1-carboxylic acid

SMILES

Cn1c(Oc(ccc(-c2nc3ccc(cccc4)c4c3c(C(O)=O)c2)c2)c2OC)nc(N(C)C(N2C)=O)c1C2=O

InChI

InChI=1S/C29H23N5O6/c1-32-24-25(33(2)29(38)34(3)26(24)35)31-28(32)40-21-12-10-16(13-22(21)39-4)20-14-18(27(36)37)23-17-8-6-5-7-15(17)9-11-19(23)30-20/h5-14H,1-4H3,(H,36,37)

InChI Key

RBCIGNOERDIOIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02314136

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

5.449

Distribution Coefficient, logD

0.392

Water Solubility, LogSw

-6.38

Polar Surface Area

94.747

Acid Dissociation Constant (pKa)

2.94

Base Dissociation Constant (pKb)

5.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.80

3615-0046 in Drug Discovery

Included in Screening Libraries

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

Nucleoside Mimetics Library (2197 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 3615-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3615-0046?
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What is the minimum amount of 3615-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3615-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3615-0046
  • 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 3615-0046 available by request