5218-2270 Screening compound: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-8,8-dimethyl-3-(2-methylphenyl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one

5218-2270 Screening compound: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-8,8-dimethyl-3-(2-methylphenyl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
5218-2270 Screening compound: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-8,8-dimethyl-3-(2-methylphenyl)-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 5218-2270
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-8,8-dimethyl-3-(2-methylphenyl)-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

5218-2270

Molecular Formula

C27H24ClN3O3S (C27 H24 ClN3 O3 S)

Compound Name

2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-8,8-dimethyl-3-(2-methylphenyl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one

IUPAC name

5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1313-dimethyl-6-(2-methylphenyl)-12-oxa-246-triazatricyclo[8.4.0.0^{38}]tetradeca-1(10)248-tetraen-7-one

SMILES

CC(C)(C1)OCc(cc2C(N3c4c(C)cccc4)=O)c1nc2N=C3SCC(c(cc1)ccc1Cl)=O

InChI

InChI=1S/C27H24ClN3O3S/c1-16-6-4-5-7-22(16)31-25(33)20-12-18-14-34-27(2,3)13-21(18)29-24(20)30-26(31)35-15-23(32)17-8-10-19(28)11-9-17/h4-12H,13-15H2,1-3H3

InChI Key

OBHQJGWEMCJDDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02994879

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.02

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.609

Distribution Coefficient, logD

5.608

Water Solubility, LogSw

-5.83

Polar Surface Area

56.416

Acid Dissociation Constant (pKa)

23.28

Base Dissociation Constant (pKb)

4.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

5218-2270 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 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 5218-2270 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5218-2270?
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What is the minimum amount of 5218-2270 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5218-2270
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5218-2270
  • 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 5218-2270 available by request