4998-2278 Screening compound: (5E)-5-[(6-ethoxy-2H-1,3-benzodioxol-5-yl)methylidene]-1-(3-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

4998-2278 Screening compound: (5E)-5-[(6-ethoxy-2H-1,3-benzodioxol-5-yl)methylidene]-1-(3-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
4998-2278 Screening compound: (5E)-5-[(6-ethoxy-2H-1,3-benzodioxol-5-yl)methylidene]-1-(3-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4998-2278
(5E)-5-[(6-ethoxy-2H-1,3-benzodioxol-5-yl)methylidene]-1-(3-fluorophenyl)-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

4998-2278

Molecular Formula

C20H15FN2O5S (C20 H15 FN2 O5 S)

Compound Name

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

IUPAC name

(5E)-5-[(6-ethoxy-2H-13-benzodioxol-5-yl)methylidene]-1-(3-fluorophenyl)-2-sulfanylidene-13-diazinane-46-dione

SMILES

CCOc1c(/C=C(\C(NC(N2c3cc(F)ccc3)=S)=O)/C2=O)cc2OCOc2c1

InChI

InChI=1S/C20H15FN2O5S/c1-2-26-15-9-17-16(27-10-28-17)7-11(15)6-14-18(24)22-20(29)23(19(14)25)13-5-3-4-12(21)8-13/h3-9H,2,10H2,1H3,(H,22,24,29)

InChI Key

OUTKOYRAPBJKDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06666019

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.884

Distribution Coefficient, logD

2.044

Water Solubility, LogSw

-3.38

Polar Surface Area

64.554

Acid Dissociation Constant (pKa)

6.63

Base Dissociation Constant (pKb)

-9.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

4998-2278 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4998-2278 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4998-2278?
Check Price and Availability of 4998-2278, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4998-2278 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4998-2278
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4998-2278
  • 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 4998-2278 available by request