6484-0012 Screening compound: 4-(1-methyl-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

6484-0012 Screening compound: 4-(1-methyl-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
6484-0012 Screening compound: 4-(1-methyl-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 6484-0012
4-(1-methyl-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

6484-0012

Molecular Formula

C22H15N3O5 (C22 H15 N3 O5)

Compound Name

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

SMILES

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

InChI

InChI=1S/C22H15N3O5/c1-25-19-16(20(27)24-22(25)30)14(10-6-8-11(9-7-10)21(28)29)15-17(23-19)12-4-2-3-5-13(12)18(15)26/h2-9,14,23H,1H3,(H,28,29)(H,24,27,30)/t14-/m0/s1

InChI Key

XLKNPAGEJYZBDW-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD07180955

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.205

Distribution Coefficient, logD

-0.767

Water Solubility, LogSw

-2.97

Polar Surface Area

92.833

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

-9.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.10

6484-0012 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 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 6484-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6484-0012?
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What is the minimum amount of 6484-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6484-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6484-0012
  • 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 6484-0012 available by request