C202-2317 Screening compound: 5-(2,4-dichlorophenyl)-2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-8,8-dimethyl-3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-4,6-dione

C202-2317 Screening compound: 5-(2,4-dichlorophenyl)-2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-8,8-dimethyl-3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-4,6-dione
C202-2317 Screening compound: 5-(2,4-dichlorophenyl)-2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-8,8-dimethyl-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 C202-2317
5-(2,4-dichlorophenyl)-2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-8,8-dimethyl-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

C202-2317

Molecular Formula

C28H27Cl2N3O2S (C28 H27 Cl2 N3 O2 S)

Compound Name

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

IUPAC name

5-(24-dichlorophenyl)-2-{[(25-dimethylphenyl)methyl]sulfanyl}-88-dimethyl-3H4H5H6H7H8H9H10H-pyrimido[45-b]quinoline-46-dione

SMILES

CC(C)(C1)CC(NC(N=C(N2)SCc3c(C)ccc(C)c3)=C(C3c(ccc(Cl)c4)c4Cl)C2=O)=C3C1=O

InChI

InChI=1S/C28H27Cl2N3O2S/c1-14-5-6-15(2)16(9-14)13-36-27-32-25-24(26(35)33-27)22(18-8-7-17(29)10-19(18)30)23-20(31-25)11-28(3,4)12-21(23)34/h5-10,22H,11-13H2,1-4H3,(H2,31,32,33,35)/t22-/m0/s1

InChI Key

JOAMSYVIZHLTNA-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14730909

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.056

Distribution Coefficient, logD

5.396

Water Solubility, LogSw

-6.39

Polar Surface Area

57.350

Acid Dissociation Constant (pKa)

5.75

Base Dissociation Constant (pKb)

0.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.10

C202-2317 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C202-2317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-2317?
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What is the minimum amount of C202-2317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-2317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-2317
  • 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 C202-2317 available by request