D392-0692 Screening compound: 5-[3-methoxy-4-(2-methylpropoxy)phenyl]-1-methyl-2-{[(4-methylphenyl)methyl]sulfanyl}-1H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione

D392-0692 Screening compound: 5-[3-methoxy-4-(2-methylpropoxy)phenyl]-1-methyl-2-{[(4-methylphenyl)methyl]sulfanyl}-1H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione
D392-0692 Screening compound: 5-[3-methoxy-4-(2-methylpropoxy)phenyl]-1-methyl-2-{[(4-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 D392-0692
5-[3-methoxy-4-(2-methylpropoxy)phenyl]-1-methyl-2-{[(4-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

D392-0692

Molecular Formula

C27H31N3O4S (C27 H31 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)COc(ccc(C(CC(N1)=O)C2=C1N(C)C(SCc1ccc(C)cc1)=NC2=O)c1)c1OC

InChI

InChI=1S/C27H31N3O4S/c1-16(2)14-34-21-11-10-19(12-22(21)33-5)20-13-23(31)28-25-24(20)26(32)29-27(30(25)4)35-15-18-8-6-17(3)7-9-18/h6-12,16,20H,13-15H2,1-5H3,(H,28,31)/t20-/m0/s1

InChI Key

VVYGPPTWWZBTLJ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD27583082

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.63

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

4.138

Distribution Coefficient, logD

4.038

Water Solubility, LogSw

-4.22

Polar Surface Area

65.298

Acid Dissociation Constant (pKa)

7.99

Base Dissociation Constant (pKb)

-0.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.00

References: we are preparing a list of scientific research reports with D392-0692 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D392-0692?
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What is the minimum amount of D392-0692 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D392-0692
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D392-0692
  • 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 D392-0692 available by request