4489-8636 Screening compound: 4-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)oxy]-3-methoxybenzaldehyde

4489-8636 Screening compound: 4-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)oxy]-3-methoxybenzaldehyde
4489-8636 Screening compound: 4-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)oxy]-3-methoxybenzaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound 4489-8636
4-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)oxy]-3-methoxybenzaldehyde

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

4489-8636

Molecular Formula

C15H11NO5S (C15 H11 NO5 S)

Compound Name

4-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)oxy]-3-methoxybenzaldehyde

IUPAC name

4-[(11-dioxo-1lambda62-benzothiazol-3-yl)oxy]-3-methoxybenzaldehyde

SMILES

COc(cc(C=O)cc1)c1OC(c1c2cccc1)=NS2(=O)=O

InChI

InChI=1S/C15H11NO5S/c1-20-13-8-10(9-17)6-7-12(13)21-15-11-4-2-3-5-14(11)22(18,19)16-15/h2-9H,1H3

InChI Key

JZCRGAXBJPNVEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00741233

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.32

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.757

Distribution Coefficient, logD

1.757

Water Solubility, LogSw

-2.56

Polar Surface Area

70.012

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-7.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

4489-8636 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 4489-8636 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4489-8636?
Check Price and Availability of 4489-8636, 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 4489-8636 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4489-8636
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4489-8636
  • 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 4489-8636 available by request