5218-2464 Screening compound: 8-ethyl-8-methyl-3-(2-methylphenyl)-2-sulfanyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one

5218-2464 Screening compound: 8-ethyl-8-methyl-3-(2-methylphenyl)-2-sulfanyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
5218-2464 Screening compound: 8-ethyl-8-methyl-3-(2-methylphenyl)-2-sulfanyl-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 5218-2464
8-ethyl-8-methyl-3-(2-methylphenyl)-2-sulfanyl-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

5218-2464

Molecular Formula

C20H21N3O2S (C20 H21 N3 O2 S)

Compound Name

8-ethyl-8-methyl-3-(2-methylphenyl)-2-sulfanyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one

IUPAC name

13-ethyl-13-methyl-6-(2-methylphenyl)-5-sulfanyl-12-oxa-246-triazatricyclo[8.4.0.0^{38}]tetradeca-1(10)248-tetraen-7-one

SMILES

CCC(C)(C1)OCc(cc2C(N3c4c(C)cccc4)=O)c1nc2N=C3S

InChI

InChI=1S/C20H21N3O2S/c1-4-20(3)10-15-13(11-25-20)9-14-17(21-15)22-19(26)23(18(14)24)16-8-6-5-7-12(16)2/h5-9H,4,10-11H2,1-3H3,(H,21,22,26)/t20-/m0/s1

InChI Key

VCKHVZPHJQCVRA-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD02997995

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.990

Distribution Coefficient, logD

-1.943

Water Solubility, LogSw

-4.25

Polar Surface Area

43.141

Acid Dissociation Constant (pKa)

1.47

Base Dissociation Constant (pKb)

4.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

5218-2464 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Anti-Inflammatory Library (24602 compounds)

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

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Immune system
  • Cardiovascular
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 5218-2464 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5218-2464?
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What is the minimum amount of 5218-2464 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5218-2464
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5218-2464
  • 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 5218-2464 available by request