5218-2284 Screening compound: 2-[(3,4-dichlorobenzyl)sulfanyl]-3-(4-methoxyphenyl)-8,8-dimethyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one

5218-2284 Screening compound: 2-[(3,4-dichlorobenzyl)sulfanyl]-3-(4-methoxyphenyl)-8,8-dimethyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
5218-2284 Screening compound: 2-[(3,4-dichlorobenzyl)sulfanyl]-3-(4-methoxyphenyl)-8,8-dimethyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5218-2284
2-[(3,4-dichlorobenzyl)sulfanyl]-3-(4-methoxyphenyl)-8,8-dimethyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one

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

5218-2284

Molecular Formula

C26H23Cl2N3O3S (C26 H23 Cl2 N3 O3 S)

Compound Name

2-[(3,4-dichlorobenzyl)sulfanyl]-3-(4-methoxyphenyl)-8,8-dimethyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one

IUPAC name

5-{[(34-dichlorophenyl)methyl]sulfanyl}-6-(4-methoxyphenyl)-1313-dimethyl-12-oxa-246-triazatricyclo[8.4.0.0^{38}]tetradeca-1(10)248-tetraen-7-one

SMILES

CC(C)(C1)OCc(cc2C(N3c(cc4)ccc4OC)=O)c1nc2N=C3SCc(cc1)cc(Cl)c1Cl

InChI

InChI=1S/C26H23Cl2N3O3S/c1-26(2)12-22-16(13-34-26)11-19-23(29-22)30-25(35-14-15-4-9-20(27)21(28)10-15)31(24(19)32)17-5-7-18(33-3)8-6-17/h4-11H,12-14H2,1-3H3

InChI Key

VAZFKCWYHHRACW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02989975

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.361

Distribution Coefficient, logD

6.358

Water Solubility, LogSw

-6.26

Polar Surface Area

51.013

Acid Dissociation Constant (pKa)

23.28

Base Dissociation Constant (pKb)

5.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

5218-2284 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5218-2284 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5218-2284?
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What is the minimum amount of 5218-2284 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5218-2284
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5218-2284
  • 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 5218-2284 available by request