8010-4630 Screening compound: (5Z)-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione

8010-4630 Screening compound: (5Z)-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
8010-4630 Screening compound: (5Z)-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-4630
(5Z)-5-[(6-nitro-2H-1,3-benzodioxol-5-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

8010-4630

Molecular Formula

C18H11N3O6S (C18 H11 N3 O6 S)

Compound Name

(5Z)-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione

IUPAC name

(5Z)-5-[(6-nitro-2H-13-benzodioxol-5-yl)methylidene]-1-phenyl-2-sulfanylidene-13-diazinane-46-dione

SMILES

[O-][N+](c1c(/C=C(/C(NC(N2c3ccccc3)=S)=O)\C2=O)cc2OCOc2c1)=O

InChI

InChI=1S/C18H11N3O6S/c22-16-12(17(23)20(18(28)19-16)11-4-2-1-3-5-11)6-10-7-14-15(27-9-26-14)8-13(10)21(24)25/h1-8H,9H2,(H,19,22,28)

InChI Key

SBWULAPSFQRDMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01909292

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.37

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.267

Distribution Coefficient, logD

1.785

Water Solubility, LogSw

-3.02

Polar Surface Area

90.424

Acid Dissociation Constant (pKa)

7.09

Base Dissociation Constant (pKb)

-8.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

References: we are preparing a list of scientific research reports with 8010-4630 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-4630?
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What is the minimum amount of 8010-4630 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-4630
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-4630
  • 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 8010-4630 available by request