8006-8058 Screening compound: (5E)-5-{[5-(3,4-dichlorophenyl)furan-2-yl]methylidene}-1-(3,4-dimethylphenyl)-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione

8006-8058 Screening compound: (5E)-5-{[5-(3,4-dichlorophenyl)furan-2-yl]methylidene}-1-(3,4-dimethylphenyl)-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
8006-8058 Screening compound: (5E)-5-{[5-(3,4-dichlorophenyl)furan-2-yl]methylidene}-1-(3,4-dimethylphenyl)-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-8058
(5E)-5-{[5-(3,4-dichlorophenyl)furan-2-yl]methylidene}-1-(3,4-dimethylphenyl)-3-phenyl-2-sulfanylidene-1,3-diazinane-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

8006-8058

Molecular Formula

C29H20Cl2N2O3S (C29 H20 Cl2 N2 O3 S)

Compound Name

(5E)-5-{[5-(3,4-dichlorophenyl)furan-2-yl]methylidene}-1-(3,4-dimethylphenyl)-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione

IUPAC name

(5E)-5-{[5-(34-dichlorophenyl)furan-2-yl]methylidene}-1-(34-dimethylphenyl)-3-phenyl-2-sulfanylidene-13-diazinane-46-dione

SMILES

Cc(cc1)c(C)cc1N(C(/C(/C(N1c2ccccc2)=O)=C/c2ccc(-c(cc3)cc(Cl)c3Cl)o2)=O)C1=S

InChI

InChI=1S/C29H20Cl2N2O3S/c1-17-8-10-21(14-18(17)2)33-28(35)23(27(34)32(29(33)37)20-6-4-3-5-7-20)16-22-11-13-26(36-22)19-9-12-24(30)25(31)15-19/h3-16H,1-2H3

InChI Key

UKIRKXCHPWNDFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00826686

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

547.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.340

Distribution Coefficient, logD

7.340

Water Solubility, LogSw

-6.47

Polar Surface Area

38.090

Acid Dissociation Constant (pKa)

28.43

Base Dissociation Constant (pKb)

-9.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.90

8006-8058 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 8006-8058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-8058?
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What is the minimum amount of 8006-8058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-8058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-8058
  • 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 8006-8058 available by request