5218-2283F Screening compound: 2-[(1,3-benzodioxol-5-ylmethyl)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

5218-2283F Screening compound: 2-[(1,3-benzodioxol-5-ylmethyl)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
5218-2283F Screening compound: 2-[(1,3-benzodioxol-5-ylmethyl)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 5218-2283F
2-[(1,3-benzodioxol-5-ylmethyl)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

5218-2283F

Molecular Formula

C27H25N3O5S (C27 H25 N3 O5 S)

Compound Name

2-[(1,3-benzodioxol-5-ylmethyl)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

n/a

SMILES

CC(C)(C1)OCc(cc2C(N3c(cc4)ccc4OC)=O)c1nc2N=C3SCc(cc1)cc2c1OCO2

InChI

InChI=1S/C27H25N3O5S/c1-27(2)12-21-17(13-35-27)11-20-24(28-21)29-26(30(25(20)31)18-5-7-19(32-3)8-6-18)36-14-16-4-9-22-23(10-16)34-15-33-22/h4-11H,12-15H2,1-3H3

InChI Key

GIUYTPMZQJVPHR-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.915

Distribution Coefficient, logD

4.912

Water Solubility, LogSw

-4.84

Polar Surface Area

68.129

Acid Dissociation Constant (pKa)

23.28

Base Dissociation Constant (pKb)

5.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

References: we are preparing a list of scientific research reports with 5218-2283F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5218-2283F?
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What is the minimum amount of 5218-2283F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5218-2283F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5218-2283F
  • 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 5218-2283F available by request