C318-0093 Screening compound: 5-(2-methoxyphenyl)-8,8-dimethyl-2-{[(2-methylphenyl)methyl]sulfanyl}-3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-4,6-dione

C318-0093 Screening compound: 5-(2-methoxyphenyl)-8,8-dimethyl-2-{[(2-methylphenyl)methyl]sulfanyl}-3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-4,6-dione
C318-0093 Screening compound: 5-(2-methoxyphenyl)-8,8-dimethyl-2-{[(2-methylphenyl)methyl]sulfanyl}-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 C318-0093
5-(2-methoxyphenyl)-8,8-dimethyl-2-{[(2-methylphenyl)methyl]sulfanyl}-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

C318-0093

Molecular Formula

C28H29N3O3S (C28 H29 N3 O3 S)

Compound Name

5-(2-methoxyphenyl)-8,8-dimethyl-2-{[(2-methylphenyl)methyl]sulfanyl}-3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-4,6-dione

IUPAC name

5-(2-methoxyphenyl)-88-dimethyl-2-{[(2-methylphenyl)methyl]sulfanyl}-3H4H5H6H7H8H9H10H-pyrimido[45-b]quinoline-46-dione

SMILES

CC(C)(C1)CC(NC(N=C(N2)SCc3c(C)cccc3)=C(C3c(cccc4)c4OC)C2=O)=C3C1=O

InChI

InChI=1S/C28H29N3O3S/c1-16-9-5-6-10-17(16)15-35-27-30-25-24(26(33)31-27)22(18-11-7-8-12-21(18)34-4)23-19(29-25)13-28(2,3)14-20(23)32/h5-12,22H,13-15H2,1-4H3,(H2,29,30,31,33)/t22-/m1/s1

InChI Key

IGAUATMBHFJNQM-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD14748281

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.174

Distribution Coefficient, logD

3.355

Water Solubility, LogSw

-5.03

Polar Surface Area

64.981

Acid Dissociation Constant (pKa)

5.59

Base Dissociation Constant (pKb)

0.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.10

References: we are preparing a list of scientific research reports with C318-0093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C318-0093?
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What is the minimum amount of C318-0093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C318-0093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C318-0093
  • 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 C318-0093 available by request