3202-0358 Screening compound: 2-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 4-methylbenzene-1-sulfonate

3202-0358 Screening compound: 2-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 4-methylbenzene-1-sulfonate
3202-0358 Screening compound: 2-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 4-methylbenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3202-0358
2-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 4-methylbenzene-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

3202-0358

Molecular Formula

C20H18N2O6S (C20 H18 N2 O6 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1S(Oc1c(C=C(C(N(C)C(N2C)=O)=O)C2=O)cccc1)(=O)=O

InChI

InChI=1S/C20H18N2O6S/c1-13-8-10-15(11-9-13)29(26,27)28-17-7-5-4-6-14(17)12-16-18(23)21(2)20(25)22(3)19(16)24/h4-12H,1-3H3

InChI Key

GLVAIKAHDLWBCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02017744

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.44

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.961

Distribution Coefficient, logD

2.961

Water Solubility, LogSw

-3.44

Polar Surface Area

80.974

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-7.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

3202-0358 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3202-0358 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3202-0358?
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What is the minimum amount of 3202-0358 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3202-0358
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3202-0358
  • 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 3202-0358 available by request