8009-0267 Screening compound: (5E)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione

8009-0267 Screening compound: (5E)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
8009-0267 Screening compound: (5E)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-0267
(5E)-5-[(2-ethoxynaphthalen-1-yl)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

8009-0267

Molecular Formula

C23H18N2O3S (C23 H18 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc1c(/C=C(\C(NC(N2c3ccccc3)=S)=O)/C2=O)c2ccccc2cc1

InChI

InChI=1S/C23H18N2O3S/c1-2-28-20-13-12-15-8-6-7-11-17(15)18(20)14-19-21(26)24-23(29)25(22(19)27)16-9-4-3-5-10-16/h3-14H,2H2,1H3,(H,24,26,29)

InChI Key

IBHDAJMKZGXGPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01460798

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.013

Distribution Coefficient, logD

3.575

Water Solubility, LogSw

-4.27

Polar Surface Area

47.167

Acid Dissociation Constant (pKa)

7.16

Base Dissociation Constant (pKb)

-8.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

References: we are preparing a list of scientific research reports with 8009-0267 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-0267?
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What is the minimum amount of 8009-0267 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-0267
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-0267
  • 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 8009-0267 available by request