3609-0260 Screening compound: (5Z)-5-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione

3609-0260 Screening compound: (5Z)-5-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione
3609-0260 Screening compound: (5Z)-5-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3609-0260
(5Z)-5-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-1-(3-methylphenyl)-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

3609-0260

Molecular Formula

C20H17N3O7 (C20 H17 N3 O7)

Compound Name

(5Z)-5-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione

IUPAC name

(5Z)-5-[(45-dimethoxy-2-nitrophenyl)methylidene]-1-(3-methylphenyl)-13-diazinane-246-trione

SMILES

Cc1cccc(N(C(/C(/C(N2)=O)=C\c(cc(c(OC)c3)OC)c3[N+]([O-])=O)=O)C2=O)c1

InChI

InChI=1S/C20H17N3O7/c1-11-5-4-6-13(7-11)22-19(25)14(18(24)21-20(22)26)8-12-9-16(29-2)17(30-3)10-15(12)23(27)28/h4-10H,1-3H3,(H,21,24,26)

InChI Key

RTDNNQZWEXCNES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02194038

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.37

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.147

Distribution Coefficient, logD

2.038

Water Solubility, LogSw

-2.87

Polar Surface Area

101.732

Acid Dissociation Constant (pKa)

7.94

Base Dissociation Constant (pKb)

-5.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with 3609-0260 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3609-0260?
Check Price and Availability of 3609-0260, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3609-0260 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3609-0260
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3609-0260
  • 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 3609-0260 available by request