3202-0229 Screening compound: 2-methoxy-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 2-nitrobenzene-1-sulfonate

3202-0229 Screening compound: 2-methoxy-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 2-nitrobenzene-1-sulfonate
3202-0229 Screening compound: 2-methoxy-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 2-nitrobenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3202-0229
2-methoxy-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 2-nitrobenzene-1-sulfonate

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

3202-0229

Molecular Formula

C18H13N3O9S (C18 H13 N3 O9 S)

Compound Name

2-methoxy-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 2-nitrobenzene-1-sulfonate

IUPAC name

2-methoxy-4-[(246-trioxo-13-diazinan-5-ylidene)methyl]phenyl 2-nitrobenzene-1-sulfonate

SMILES

COc(cc(C=C(C(NC(N1)=O)=O)C1=O)cc1)c1OS(c(cccc1)c1[N+]([O-])=O)(=O)=O

InChI

InChI=1S/C18H13N3O9S/c1-29-14-9-10(8-11-16(22)19-18(24)20-17(11)23)6-7-13(14)30-31(27,28)15-5-3-2-4-12(15)21(25)26/h2-9H,1H3,(H2,19,20,22,23,24)

InChI Key

JUGNLDZUHDZMFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01873477

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.38

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.036

Distribution Coefficient, logD

0.688

Water Solubility, LogSw

-2.43

Polar Surface Area

139.202

Acid Dissociation Constant (pKa)

7.31

Base Dissociation Constant (pKb)

-6.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

3202-0229 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

Lipid Metabolism Library (9174 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 3202-0229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3202-0229?
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What is the minimum amount of 3202-0229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3202-0229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3202-0229
  • 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 3202-0229 available by request