4489-8484 Screening compound: N'~1~-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-2-methoxy-N'~1~-methylbenzohydrazide

4489-8484 Screening compound: N'~1~-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-2-methoxy-N'~1~-methylbenzohydrazide
4489-8484 Screening compound: N'~1~-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-2-methoxy-N'~1~-methylbenzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4489-8484
N'~1~-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-2-methoxy-N'~1~-methylbenzohydrazide

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

4489-8484

Molecular Formula

C16H15N3O4S (C16 H15 N3 O4 S)

Compound Name

N'~1~-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-2-methoxy-N'~1~-methylbenzohydrazide

IUPAC name

N'-(11-dioxo-1lambda62-benzothiazol-3-yl)-2-methoxy-N'-methylbenzohydrazide

SMILES

CN(C(c1c2cccc1)=NS2(=O)=O)NC(c(cccc1)c1OC)=O

InChI

InChI=1S/C16H15N3O4S/c1-19(17-16(20)11-7-3-5-9-13(11)23-2)15-12-8-4-6-10-14(12)24(21,22)18-15/h3-10H,1-2H3,(H,17,20)

InChI Key

YKFDBRVYHYSETF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01617836

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.167

Distribution Coefficient, logD

0.244

Water Solubility, LogSw

-2.33

Polar Surface Area

75.042

Acid Dissociation Constant (pKa)

6.53

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

4489-8484 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 4489-8484 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 4489-8484 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4489-8484
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4489-8484
  • 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 4489-8484 available by request