D392-0083 Screening compound: 5-(3-methoxy-4-propoxyphenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione

D392-0083 Screening compound: 5-(3-methoxy-4-propoxyphenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione
D392-0083 Screening compound: 5-(3-methoxy-4-propoxyphenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D392-0083
5-(3-methoxy-4-propoxyphenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-3H,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

D392-0083

Molecular Formula

C25H27N3O4S (C25 H27 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCCOc(ccc(C(CC(N1)=O)C(C(N2)=O)=C1N=C2SCc1ccc(C)cc1)c1)c1OC

InChI

InChI=1S/C25H27N3O4S/c1-4-11-32-19-10-9-17(12-20(19)31-3)18-13-21(29)26-23-22(18)24(30)28-25(27-23)33-14-16-7-5-15(2)6-8-16/h5-10,12,18H,4,11,13-14H2,1-3H3,(H2,26,27,28,29,30)/t18-/m1/s1

InChI Key

XMGZATGBJPLOJI-GOSISDBHSA-N

MDL Number (MFCD)

MFCD27582867

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.361

Distribution Coefficient, logD

3.352

Water Solubility, LogSw

-3.52

Polar Surface Area

73.003

Acid Dissociation Constant (pKa)

9.04

Base Dissociation Constant (pKb)

1.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with D392-0083 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D392-0083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D392-0083
  • 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 D392-0083 available by request