6484-0068 Screening compound: 4-[1-(2-methoxyethyl)-2,4,6-trioxo-2,3,4,5,6,11-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl]benzoic acid

6484-0068 Screening compound: 4-[1-(2-methoxyethyl)-2,4,6-trioxo-2,3,4,5,6,11-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl]benzoic acid
6484-0068 Screening compound: 4-[1-(2-methoxyethyl)-2,4,6-trioxo-2,3,4,5,6,11-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6484-0068
4-[1-(2-methoxyethyl)-2,4,6-trioxo-2,3,4,5,6,11-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl]benzoic 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

6484-0068

Molecular Formula

C24H19N3O6 (C24 H19 N3 O6)

Compound Name

4-[1-(2-methoxyethyl)-2,4,6-trioxo-2,3,4,5,6,11-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl]benzoic acid

IUPAC name

4-[7-(2-methoxyethyl)-4617-trioxo-579-triazatetracyclo[8.7.0.0^{38}.0^{1116}]heptadeca-1(10)3(8)111315-pentaen-2-yl]benzoic acid

SMILES

COCCN(C(NC(c1c2cccc1)=C(C1c(cc3)ccc3C(O)=O)C2=O)=C1C(N1)=O)C1=O

InChI

InChI=1S/C24H19N3O6/c1-33-11-10-27-21-18(22(29)26-24(27)32)16(12-6-8-13(9-7-12)23(30)31)17-19(25-21)14-4-2-3-5-15(14)20(17)28/h2-9,16,25H,10-11H2,1H3,(H,30,31)(H,26,29,32)/t16-/m0/s1

InChI Key

IMDDNNHYGVSKBQ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD07180980

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.281

Distribution Coefficient, logD

-0.691

Water Solubility, LogSw

-3.03

Polar Surface Area

101.388

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

-8.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

6484-0068 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

References: we are preparing a list of scientific research reports with 6484-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6484-0068?
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What is the minimum amount of 6484-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6484-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6484-0068
  • 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 6484-0068 available by request