3269-0471 Screening compound: (5E)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-1-(3,5-dichlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

3269-0471 Screening compound: (5E)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-1-(3,5-dichlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
3269-0471 Screening compound: (5E)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-1-(3,5-dichlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3269-0471
(5E)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-1-(3,5-dichlorophenyl)-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

3269-0471

Molecular Formula

C18H10Cl2N2O4S (C18 H10 Cl2 N2 O4 S)

Compound Name

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

IUPAC name

(5E)-5-[(2H-13-benzodioxol-5-yl)methylidene]-1-(35-dichlorophenyl)-2-sulfanylidene-13-diazinane-46-dione

SMILES

O=C(/C(/C(N1c2cc(Cl)cc(Cl)c2)=O)=C\c(cc2)cc3c2OCO3)NC1=S

InChI

InChI=1S/C18H10Cl2N2O4S/c19-10-5-11(20)7-12(6-10)22-17(24)13(16(23)21-18(22)27)3-9-1-2-14-15(4-9)26-8-25-14/h1-7H,8H2,(H,21,23,27)

InChI Key

RWXJSDBCBQKEFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02192540

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.26

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.082

Distribution Coefficient, logD

2.061

Water Solubility, LogSw

-4.73

Polar Surface Area

57.344

Acid Dissociation Constant (pKa)

5.38

Base Dissociation Constant (pKb)

-10.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

3269-0471 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3269-0471 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3269-0471?
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What is the minimum amount of 3269-0471 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3269-0471
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3269-0471
  • 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 3269-0471 available by request