D392-0675 Screening compound: 1-methyl-2-{[(4-methylphenyl)methyl]sulfanyl}-5-(2-propoxyphenyl)-1H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione

D392-0675 Screening compound: 1-methyl-2-{[(4-methylphenyl)methyl]sulfanyl}-5-(2-propoxyphenyl)-1H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione
D392-0675 Screening compound: 1-methyl-2-{[(4-methylphenyl)methyl]sulfanyl}-5-(2-propoxyphenyl)-1H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D392-0675
1-methyl-2-{[(4-methylphenyl)methyl]sulfanyl}-5-(2-propoxyphenyl)-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

D392-0675

Molecular Formula

C25H27N3O3S (C25 H27 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCCOc1c(C(CC(N2)=O)C3=C2N(C)C(SCc2ccc(C)cc2)=NC3=O)cccc1

InChI

InChI=1S/C25H27N3O3S/c1-4-13-31-20-8-6-5-7-18(20)19-14-21(29)26-23-22(19)24(30)27-25(28(23)3)32-15-17-11-9-16(2)10-12-17/h5-12,19H,4,13-15H2,1-3H3,(H,26,29)/t19-/m0/s1

InChI Key

XJFYCFXXNKMWHQ-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27583071

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.196

Distribution Coefficient, logD

4.096

Water Solubility, LogSw

-4.16

Polar Surface Area

57.586

Acid Dissociation Constant (pKa)

7.99

Base Dissociation Constant (pKb)

-0.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with D392-0675 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D392-0675?
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What is the minimum amount of D392-0675 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D392-0675
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D392-0675
  • 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 D392-0675 available by request