8009-7996 Screening compound: (5E)-5-[(2,4-dihydroxyphenyl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione

8009-7996 Screening compound: (5E)-5-[(2,4-dihydroxyphenyl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
8009-7996 Screening compound: (5E)-5-[(2,4-dihydroxyphenyl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-7996
(5E)-5-[(2,4-dihydroxyphenyl)methylidene]-1-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

8009-7996

Molecular Formula

C17H12N2O4S (C17 H12 N2 O4 S)

Compound Name

(5E)-5-[(2,4-dihydroxyphenyl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione

IUPAC name

(5E)-5-[(24-dihydroxyphenyl)methylidene]-1-phenyl-2-sulfanylidene-13-diazinane-46-dione

SMILES

Oc1cc(O)c(/C=C(\C(NC(N2c3ccccc3)=S)=O)/C2=O)cc1

InChI

InChI=1S/C17H12N2O4S/c20-12-7-6-10(14(21)9-12)8-13-15(22)18-17(24)19(16(13)23)11-4-2-1-3-5-11/h1-9,20-21H,(H,18,22,24)

InChI Key

JPVNFITUUMOHPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01820398

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.820

Distribution Coefficient, logD

1.594

Water Solubility, LogSw

-2.44

Polar Surface Area

74.393

Acid Dissociation Constant (pKa)

7.46

Base Dissociation Constant (pKb)

-8.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 8009-7996 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-7996?
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What is the minimum amount of 8009-7996 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-7996
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-7996
  • 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 8009-7996 available by request