4281-1773 Screening compound: 5-BROMO-2,3-DIMETHOXYBENZALDEHYDE 1-(1,1-DIOXO-1H-1,2-BENZISOTHIAZOL-3-YL)-1-(2-HYDROXYETHYL)HYDRAZONE

4281-1773 Screening compound: 5-BROMO-2,3-DIMETHOXYBENZALDEHYDE 1-(1,1-DIOXO-1H-1,2-BENZISOTHIAZOL-3-YL)-1-(2-HYDROXYETHYL)HYDRAZONE
4281-1773 Screening compound: 5-BROMO-2,3-DIMETHOXYBENZALDEHYDE 1-(1,1-DIOXO-1H-1,2-BENZISOTHIAZOL-3-YL)-1-(2-HYDROXYETHYL)HYDRAZONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 4281-1773
5-BROMO-2,3-DIMETHOXYBENZALDEHYDE 1-(1,1-DIOXO-1H-1,2-BENZISOTHIAZOL-3-YL)-1-(2-HYDROXYETHYL)HYDRAZONE

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

4281-1773

Molecular Formula

C18H18BrN3O5S (C18 H18 BrN3 O5 S)

Compound Name

5-BROMO-2,3-DIMETHOXYBENZALDEHYDE 1-(1,1-DIOXO-1H-1,2-BENZISOTHIAZOL-3-YL)-1-(2-HYDROXYETHYL)HYDRAZONE

IUPAC name

n/a

SMILES

COc(cc(cc1/C=N/N(CCO)C(c2c3cccc2)=NS3(=O)=O)Br)c1OC

InChI

InChI=1S/C18H18BrN3O5S/c1-26-15-10-13(19)9-12(17(15)27-2)11-20-22(7-8-23)18-14-5-3-4-6-16(14)28(24,25)21-18/h3-6,9-11,23H,7-8H2,1-2H3

InChI Key

ZVTZZLWJUBYSSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04083598

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.33

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.378

Distribution Coefficient, logD

2.378

Water Solubility, LogSw

-2.92

Polar Surface Area

83.176

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

1.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

4281-1773 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4281-1773 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4281-1773?
Check Price and Availability of 4281-1773, 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 4281-1773 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4281-1773
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4281-1773
  • 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 4281-1773 available by request