3728-1129 Screening compound: (5E)-1-(2,3-dichlorophenyl)-5-[(4-methoxynaphthalen-1-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

3728-1129 Screening compound: (5E)-1-(2,3-dichlorophenyl)-5-[(4-methoxynaphthalen-1-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
3728-1129 Screening compound: (5E)-1-(2,3-dichlorophenyl)-5-[(4-methoxynaphthalen-1-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3728-1129
(5E)-1-(2,3-dichlorophenyl)-5-[(4-methoxynaphthalen-1-yl)methylidene]-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

3728-1129

Molecular Formula

C22H14Cl2N2O3S (C22 H14 Cl2 N2 O3 S)

Compound Name

(5E)-1-(2,3-dichlorophenyl)-5-[(4-methoxynaphthalen-1-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

IUPAC name

(5E)-1-(23-dichlorophenyl)-5-[(4-methoxynaphthalen-1-yl)methylidene]-2-sulfanylidene-13-diazinane-46-dione

SMILES

COc1ccc(/C=C(\C(NC(N2c3cccc(Cl)c3Cl)=S)=O)/C2=O)c2ccccc12

InChI

InChI=1S/C22H14Cl2N2O3S/c1-29-18-10-9-12(13-5-2-3-6-14(13)18)11-15-20(27)25-22(30)26(21(15)28)17-8-4-7-16(23)19(17)24/h2-11H,1H3,(H,25,27,30)

InChI Key

VJAMQFRXKVBVJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14708676

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.242

Distribution Coefficient, logD

2.856

Water Solubility, LogSw

-5.69

Polar Surface Area

47.286

Acid Dissociation Constant (pKa)

5.02

Base Dissociation Constant (pKb)

-11.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

References: we are preparing a list of scientific research reports with 3728-1129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3728-1129?
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What is the minimum amount of 3728-1129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3728-1129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3728-1129
  • 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 3728-1129 available by request