D271-0477 Screening compound: 5-(3-ethoxy-4-hydroxyphenyl)-1-methyl-2-{[(2-methylphenyl)methyl]sulfanyl}-1H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione

D271-0477 Screening compound: 5-(3-ethoxy-4-hydroxyphenyl)-1-methyl-2-{[(2-methylphenyl)methyl]sulfanyl}-1H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione
D271-0477 Screening compound: 5-(3-ethoxy-4-hydroxyphenyl)-1-methyl-2-{[(2-methylphenyl)methyl]sulfanyl}-1H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D271-0477
5-(3-ethoxy-4-hydroxyphenyl)-1-methyl-2-{[(2-methylphenyl)methyl]sulfanyl}-1H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione

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

D271-0477

Molecular Formula

C24H25N3O4S (C24 H25 N3 O4 S)

Compound Name

5-(3-ethoxy-4-hydroxyphenyl)-1-methyl-2-{[(2-methylphenyl)methyl]sulfanyl}-1H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione

IUPAC name

5-(3-ethoxy-4-hydroxyphenyl)-1-methyl-2-{[(2-methylphenyl)methyl]sulfanyl}-1H4H5H6H7H8H-pyrido[23-d]pyrimidine-47-dione

SMILES

CCOc(cc(C(CC(N1)=O)C2=C1N(C)C(SCc1c(C)cccc1)=NC2=O)cc1)c1O

InChI

InChI=1S/C24H25N3O4S/c1-4-31-19-11-15(9-10-18(19)28)17-12-20(29)25-22-21(17)23(30)26-24(27(22)3)32-13-16-8-6-5-7-14(16)2/h5-11,17,28H,4,12-13H2,1-3H3,(H,25,29)/t17-/m0/s1

InChI Key

LJTTZHNOMINSTI-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14816187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.361

Distribution Coefficient, logD

3.261

Water Solubility, LogSw

-3.25

Polar Surface Area

73.840

Acid Dissociation Constant (pKa)

7.99

Base Dissociation Constant (pKb)

-0.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

References: we are preparing a list of scientific research reports with D271-0477 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D271-0477?
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What is the minimum amount of D271-0477 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D271-0477
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  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D271-0477
  • 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 D271-0477 available by request