C318-0111 Screening compound: 8,8-dimethyl-5-(4-methylphenyl)-2-(pentylsulfanyl)-3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-4,6-dione

C318-0111 Screening compound: 8,8-dimethyl-5-(4-methylphenyl)-2-(pentylsulfanyl)-3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-4,6-dione
C318-0111 Screening compound: 8,8-dimethyl-5-(4-methylphenyl)-2-(pentylsulfanyl)-3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C318-0111
8,8-dimethyl-5-(4-methylphenyl)-2-(pentylsulfanyl)-3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-4,6-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

C318-0111

Molecular Formula

C25H31N3O2S (C25 H31 N3 O2 S)

Compound Name

8,8-dimethyl-5-(4-methylphenyl)-2-(pentylsulfanyl)-3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-4,6-dione

IUPAC name

88-dimethyl-5-(4-methylphenyl)-2-(pentylsulfanyl)-3H4H5H6H7H8H9H10H-pyrimido[45-b]quinoline-46-dione

SMILES

CCCCCSC(N1)=NC(NC(CC(C)(C)C2)=C(C3c4ccc(C)cc4)C2=O)=C3C1=O

InChI

InChI=1S/C25H31N3O2S/c1-5-6-7-12-31-24-27-22-21(23(30)28-24)19(16-10-8-15(2)9-11-16)20-17(26-22)13-25(3,4)14-18(20)29/h8-11,19H,5-7,12-14H2,1-4H3,(H2,26,27,28,30)/t19-/m1/s1

InChI Key

SFNQSRDYNIYEOC-LJQANCHMSA-N

MDL Number (MFCD)

MFCD07524907

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.427

Distribution Coefficient, logD

3.353

Water Solubility, LogSw

-5.22

Polar Surface Area

57.622

Acid Dissociation Constant (pKa)

5.33

Base Dissociation Constant (pKb)

-0.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.00

References: we are preparing a list of scientific research reports with C318-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C318-0111?
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What is the minimum amount of C318-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C318-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C318-0111
  • 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 C318-0111 available by request