C318-0011 Screening compound: 8,8-dimethyl-5-(4-methylphenyl)-2-{[2-(morpholin-4-yl)ethyl]sulfanyl}-3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-4,6-dione

C318-0011 Screening compound: 8,8-dimethyl-5-(4-methylphenyl)-2-{[2-(morpholin-4-yl)ethyl]sulfanyl}-3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-4,6-dione
C318-0011 Screening compound: 8,8-dimethyl-5-(4-methylphenyl)-2-{[2-(morpholin-4-yl)ethyl]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 C318-0011
8,8-dimethyl-5-(4-methylphenyl)-2-{[2-(morpholin-4-yl)ethyl]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

C318-0011

Molecular Formula

C26H32N4O3S (C26 H32 N4 O3 S)

Compound Name

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

IUPAC name

88-dimethyl-5-(4-methylphenyl)-2-{[2-(morpholin-4-yl)ethyl]sulfanyl}-3H4H5H6H7H8H9H10H-pyrimido[45-b]quinoline-46-dione

SMILES

CC(C)(C1)CC(NC(N=C(N2)SCCN3CCOCC3)=C(C3c4ccc(C)cc4)C2=O)=C3C1=O

InChI

InChI=1S/C26H32N4O3S/c1-16-4-6-17(7-5-16)20-21-18(14-26(2,3)15-19(21)31)27-23-22(20)24(32)29-25(28-23)34-13-10-30-8-11-33-12-9-30/h4-7,20H,8-15H2,1-3H3,(H2,27,28,29,32)/t20-/m1/s1

InChI Key

UZFIIHXKLLAYBL-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD14748273

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

480.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.693

Distribution Coefficient, logD

2.693

Water Solubility, LogSw

-3.04

Polar Surface Area

69.242

Acid Dissociation Constant (pKa)

5.33

Base Dissociation Constant (pKb)

8.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with C318-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C318-0011?
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What is the minimum amount of C318-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C318-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C318-0011
  • 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 C318-0011 available by request