3807-4853 Screening compound: 5-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-6-yl acetate

3807-4853 Screening compound: 5-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-6-yl acetate
3807-4853 Screening compound: 5-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-6-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3807-4853
5-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-6-yl acetate

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

3807-4853

Molecular Formula

C25H21N3O5 (C25 H21 N3 O5)

Compound Name

5-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-6-yl acetate

IUPAC name

2-(4-methoxyphenyl)-57-dimethyl-46-dioxo-579-triazatetracyclo[8.7.0.0^{38}.0^{1116}]heptadeca-1(17)3(8)911(16)1214-hexaen-17-yl acetate

SMILES

CC(OC(c1c2cccc1)=C(C1c(cc3)ccc3OC)C2=NC(N(C)C(N2C)=O)=C1C2=O)=O

InChI

InChI=1S/C25H21N3O5/c1-13(29)33-22-17-8-6-5-7-16(17)21-19(22)18(14-9-11-15(32-4)12-10-14)20-23(26-21)27(2)25(31)28(3)24(20)30/h5-12,18H,1-4H3/t18-/m0/s1

InChI Key

XEAXZULFNGQILB-SFHVURJKSA-N

MDL Number (MFCD)

MFCD01795919

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.919

Distribution Coefficient, logD

2.916

Water Solubility, LogSw

-3.52

Polar Surface Area

67.207

Acid Dissociation Constant (pKa)

22.98

Base Dissociation Constant (pKb)

5.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

3807-4853 in Drug Discovery

Included in Screening Libraries

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

Human Kinases Annotated Library (2415 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3807-4853 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3807-4853?
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What is the minimum amount of 3807-4853 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3807-4853
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3807-4853
  • 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 3807-4853 available by request