6404-0162 Screening compound: 5-{4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl}-8,8-dimethyl-1H,2H,3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-2,4,6-trione

6404-0162 Screening compound: 5-{4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl}-8,8-dimethyl-1H,2H,3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-2,4,6-trione
6404-0162 Screening compound: 5-{4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl}-8,8-dimethyl-1H,2H,3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6404-0162
5-{4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl}-8,8-dimethyl-1H,2H,3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-2,4,6-trione

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

6404-0162

Molecular Formula

C27H26ClN3O5 (C27 H26 ClN3 O5)

Compound Name

5-{4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl}-8,8-dimethyl-1H,2H,3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-2,4,6-trione

IUPAC name

5-{4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl}-88-dimethyl-1H2H3H4H5H6H7H8H9H10H-pyrimido[45-b]quinoline-246-trione

SMILES

CC(C)(C1)CC(NC(NC(N2)=O)=C(C3c(cc4)cc(OC)c4OCc(cccc4)c4Cl)C2=O)=C3C1=O

InChI

InChI=1S/C27H26ClN3O5/c1-27(2)11-17-22(18(32)12-27)21(23-24(29-17)30-26(34)31-25(23)33)14-8-9-19(20(10-14)35-3)36-13-15-6-4-5-7-16(15)28/h4-10,21H,11-13H2,1-3H3,(H3,29,30,31,33,34)/t21-/m0/s1

InChI Key

CSKJWYGMGNZRQP-NRFANRHFSA-N

MDL Number (MFCD)

MFCD04214286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.97

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.460

Distribution Coefficient, logD

1.442

Water Solubility, LogSw

-3.90

Polar Surface Area

86.915

Acid Dissociation Constant (pKa)

5.39

Base Dissociation Constant (pKb)

-8.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

6404-0162 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 6404-0162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6404-0162?
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What is the minimum amount of 6404-0162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6404-0162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6404-0162
  • 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 6404-0162 available by request