D392-0913 Screening compound: 5-[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]-1-methyl-2-(prop-2-en-1-ylsulfanyl)-1H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione

D392-0913 Screening compound: 5-[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]-1-methyl-2-(prop-2-en-1-ylsulfanyl)-1H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione
D392-0913 Screening compound: 5-[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]-1-methyl-2-(prop-2-en-1-ylsulfanyl)-1H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D392-0913
5-[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]-1-methyl-2-(prop-2-en-1-ylsulfanyl)-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

D392-0913

Molecular Formula

C21H23N3O4S (C21 H23 N3 O4 S)

Compound Name

5-[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]-1-methyl-2-(prop-2-en-1-ylsulfanyl)-1H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione

IUPAC name

5-[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]-1-methyl-2-(prop-2-en-1-ylsulfanyl)-1H4H5H6H7H8H-pyrido[23-d]pyrimidine-47-dione

SMILES

CN(C(NC(C1)=O)=C2C1c(cc1)cc(OC)c1OCC=C)C(SCC=C)=NC2=O

InChI

InChI=1S/C21H23N3O4S/c1-5-9-28-15-8-7-13(11-16(15)27-4)14-12-17(25)22-19-18(14)20(26)23-21(24(19)3)29-10-6-2/h5-8,11,14H,1-2,9-10,12H2,3-4H3,(H,22,25)/t14-/m0/s1

InChI Key

VNXYPBHOHXCOCG-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27583181

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.480

Distribution Coefficient, logD

2.380

Water Solubility, LogSw

-3.12

Polar Surface Area

65.488

Acid Dissociation Constant (pKa)

7.99

Base Dissociation Constant (pKb)

-1.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with D392-0913 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 D392-0913
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D392-0913
  • 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 D392-0913 available by request