4098-1741 Screening compound: (5Z)-5-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-3-(4-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one

4098-1741 Screening compound: (5Z)-5-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-3-(4-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one
4098-1741 Screening compound: (5Z)-5-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-3-(4-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4098-1741
(5Z)-5-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-3-(4-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one

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

4098-1741

Molecular Formula

C18H13ClN2O4S (C18 H13 ClN2 O4 S)

Compound Name

(5Z)-5-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-3-(4-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one

IUPAC name

(5Z)-5-[(6-chloro-2H-13-benzodioxol-5-yl)methylidene]-3-(4-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one

SMILES

COc(cc1)ccc1N(C(/C(/N1)=C/c(cc2OCOc2c2)c2Cl)=O)C1=S

InChI

InChI=1S/C18H13ClN2O4S/c1-23-12-4-2-11(3-5-12)21-17(22)14(20-18(21)26)6-10-7-15-16(8-13(10)19)25-9-24-15/h2-8H,9H2,1H3,(H,20,26)

InChI Key

TZNKLUNPIYVNOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03032234

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.83

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.669

Distribution Coefficient, logD

3.558

Water Solubility, LogSw

-4.06

Polar Surface Area

51.556

Acid Dissociation Constant (pKa)

7.93

Base Dissociation Constant (pKb)

0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

4098-1741 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 4098-1741 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4098-1741?
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What is the minimum amount of 4098-1741 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4098-1741
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4098-1741
  • 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 4098-1741 available by request