D392-0604 Screening compound: 2-(benzylsulfanyl)-5-(3-ethoxy-4-methoxyphenyl)-1-methyl-1H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione

D392-0604 Screening compound: 2-(benzylsulfanyl)-5-(3-ethoxy-4-methoxyphenyl)-1-methyl-1H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione
D392-0604 Screening compound: 2-(benzylsulfanyl)-5-(3-ethoxy-4-methoxyphenyl)-1-methyl-1H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D392-0604
2-(benzylsulfanyl)-5-(3-ethoxy-4-methoxyphenyl)-1-methyl-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

D392-0604

Molecular Formula

C24H25N3O4S (C24 H25 N3 O4 S)

Compound Name

2-(benzylsulfanyl)-5-(3-ethoxy-4-methoxyphenyl)-1-methyl-1H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione

IUPAC name

2-(benzylsulfanyl)-5-(3-ethoxy-4-methoxyphenyl)-1-methyl-1H4H5H6H7H8H-pyrido[23-d]pyrimidine-47-dione

SMILES

CCOc(cc(C(CC(N1)=O)C2=C1N(C)C(SCc1ccccc1)=NC2=O)cc1)c1OC

InChI

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

InChI Key

PTPMKAJKGIKDQR-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27583025

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.327

Distribution Coefficient, logD

2.227

Water Solubility, LogSw

-3.01

Polar Surface Area

64.923

Acid Dissociation Constant (pKa)

7.99

Base Dissociation Constant (pKb)

-0.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

References: we are preparing a list of scientific research reports with D392-0604 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D392-0604?
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What is the minimum amount of D392-0604 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D392-0604
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D392-0604
  • 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 D392-0604 available by request