6484-0097 Screening compound: 1-(3-methoxypropyl)-5-(1-naphthyl)-5,11-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione

6484-0097 Screening compound: 1-(3-methoxypropyl)-5-(1-naphthyl)-5,11-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione
6484-0097 Screening compound: 1-(3-methoxypropyl)-5-(1-naphthyl)-5,11-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6484-0097
1-(3-methoxypropyl)-5-(1-naphthyl)-5,11-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione

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

6484-0097

Molecular Formula

C28H23N3O4 (C28 H23 N3 O4)

Compound Name

1-(3-methoxypropyl)-5-(1-naphthyl)-5,11-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione

IUPAC name

7-(3-methoxypropyl)-2-(naphthalen-1-yl)-579-triazatetracyclo[8.7.0.0^{38}.0^{1116}]heptadeca-1(10)3(8)111315-pentaene-4617-trione

SMILES

COCCCN(C(NC(c1c2cccc1)=C(C1c3cccc4ccccc34)C2=O)=C1C(N1)=O)C1=O

InChI

InChI=1S/C28H23N3O4/c1-35-15-7-14-31-26-23(27(33)30-28(31)34)21(18-13-6-9-16-8-2-3-10-17(16)18)22-24(29-26)19-11-4-5-12-20(19)25(22)32/h2-6,8-13,21,29H,7,14-15H2,1H3,(H,30,33,34)/t21-/m0/s1

InChI Key

GWXXTEFWRYKTNH-NRFANRHFSA-N

MDL Number (MFCD)

MFCD07180993

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.107

Distribution Coefficient, logD

2.601

Water Solubility, LogSw

-4.27

Polar Surface Area

72.708

Acid Dissociation Constant (pKa)

5.91

Base Dissociation Constant (pKb)

-8.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.90

6484-0097 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6484-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6484-0097?
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What is the minimum amount of 6484-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6484-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6484-0097
  • 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 6484-0097 available by request