C406-0086 Screening compound: 8-(4-chloro-2-cyclohexylphenoxy)-7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

C406-0086 Screening compound: 8-(4-chloro-2-cyclohexylphenoxy)-7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
C406-0086 Screening compound: 8-(4-chloro-2-cyclohexylphenoxy)-7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C406-0086
8-(4-chloro-2-cyclohexylphenoxy)-7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-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

C406-0086

Molecular Formula

C26H25Cl3N4O3 (C26 H25 Cl3 N4 O3)

Compound Name

8-(4-chloro-2-cyclohexylphenoxy)-7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

8-(4-chloro-2-cyclohexylphenoxy)-7-[(24-dichlorophenyl)methyl]-13-dimethyl-2367-tetrahydro-1H-purine-26-dione

SMILES

CN(c1c(C(N2C)=O)n(Cc(ccc(Cl)c3)c3Cl)c(Oc(cc3)c(C4CCCCC4)cc3Cl)n1)C2=O

InChI

InChI=1S/C26H25Cl3N4O3/c1-31-23-22(24(34)32(2)26(31)35)33(14-16-8-9-18(28)13-20(16)29)25(30-23)36-21-11-10-17(27)12-19(21)15-6-4-3-5-7-15/h8-13,15H,3-7,14H2,1-2H3

InChI Key

UINVBHITHKQQME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04276588

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

547.87

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.884

Distribution Coefficient, logD

7.884

Water Solubility, LogSw

-6.53

Polar Surface Area

49.760

Acid Dissociation Constant (pKa)

21.80

Base Dissociation Constant (pKb)

1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

C406-0086 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C406-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C406-0086?
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What is the minimum amount of C406-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C406-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C406-0086
  • 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 C406-0086 available by request