8010-4627 Screening compound: (5E)-1-methyl-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-1,3-diazinane-2,4,6-trione

8010-4627 Screening compound: (5E)-1-methyl-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-1,3-diazinane-2,4,6-trione
8010-4627 Screening compound: (5E)-1-methyl-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-4627
(5E)-1-methyl-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-1,3-diazinane-2,4,6-trione

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

8010-4627

Molecular Formula

C13H9N3O7 (C13 H9 N3 O7)

Compound Name

(5E)-1-methyl-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-1,3-diazinane-2,4,6-trione

IUPAC name

(5E)-1-methyl-5-[(6-nitro-2H-13-benzodioxol-5-yl)methylidene]-13-diazinane-246-trione

SMILES

CN(C(/C(/C(N1)=O)=C/c(cc2OCOc2c2)c2[N+]([O-])=O)=O)C1=O

InChI

InChI=1S/C13H9N3O7/c1-15-12(18)7(11(17)14-13(15)19)2-6-3-9-10(23-5-22-9)4-8(6)16(20)21/h2-4H,5H2,1H3,(H,14,17,19)

InChI Key

YHRNDRHNBHVDRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00606574

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.23

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.919

Distribution Coefficient, logD

0.664

Water Solubility, LogSw

-2.35

Polar Surface Area

104.236

Acid Dissociation Constant (pKa)

7.50

Base Dissociation Constant (pKb)

-7.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with 8010-4627 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-4627?
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What is the minimum amount of 8010-4627 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-4627
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-4627
  • 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 8010-4627 available by request