3684-0291 Screening compound: 5-[(5-chloro-2-methoxyphenyl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione

3684-0291 Screening compound: 5-[(5-chloro-2-methoxyphenyl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
3684-0291 Screening compound: 5-[(5-chloro-2-methoxyphenyl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3684-0291
5-[(5-chloro-2-methoxyphenyl)methylidene]-1,3-dimethyl-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

3684-0291

Molecular Formula

C14H13ClN2O3S (C14 H13 ClN2 O3 S)

Compound Name

5-[(5-chloro-2-methoxyphenyl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione

IUPAC name

5-[(5-chloro-2-methoxyphenyl)methylidene]-13-dimethyl-2-sulfanylidene-13-diazinane-46-dione

SMILES

CN(C(C(C(N1C)=O)=Cc(cc(cc2)Cl)c2OC)=O)C1=S

InChI

InChI=1S/C14H13ClN2O3S/c1-16-12(18)10(13(19)17(2)14(16)21)7-8-6-9(15)4-5-11(8)20-3/h4-7H,1-3H3

InChI Key

LWJDKDGAHQKKSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02608608

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.79

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.830

Distribution Coefficient, logD

1.830

Water Solubility, LogSw

-2.86

Polar Surface Area

39.448

Acid Dissociation Constant (pKa)

32.90

Base Dissociation Constant (pKb)

-10.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with 3684-0291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3684-0291?
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What is the minimum amount of 3684-0291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3684-0291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3684-0291
  • 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 3684-0291 available by request