4489-8506 Screening compound: N~1~-(tert-butyl)-3-[1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-2-(4-methylbenzoyl)hydrazino]propanamide

4489-8506 Screening compound: N~1~-(tert-butyl)-3-[1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-2-(4-methylbenzoyl)hydrazino]propanamide
4489-8506 Screening compound: N~1~-(tert-butyl)-3-[1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-2-(4-methylbenzoyl)hydrazino]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4489-8506
N~1~-(tert-butyl)-3-[1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-2-(4-methylbenzoyl)hydrazino]propanamide

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

4489-8506

Molecular Formula

C22H26N4O4S (C22 H26 N4 O4 S)

Compound Name

N~1~-(tert-butyl)-3-[1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-2-(4-methylbenzoyl)hydrazino]propanamide

IUPAC name

N-tert-butyl-3-[N'-(11-dioxo-1lambda62-benzothiazol-3-yl)-1-(4-methylphenyl)formohydrazido]propanamide

SMILES

CC(C)(C)NC(CCN(C(c1c2cccc1)=NS2(=O)=O)NC(c1ccc(C)cc1)=O)=O

InChI

InChI=1S/C22H26N4O4S/c1-15-9-11-16(12-10-15)21(28)24-26(14-13-19(27)23-22(2,3)4)20-17-7-5-6-8-18(17)31(29,30)25-20/h5-12H,13-14H2,1-4H3,(H,23,27)(H,24,28)

InChI Key

YBJMRCPIKQDKDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02231954

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.534

Distribution Coefficient, logD

2.118

Water Solubility, LogSw

-3.06

Polar Surface Area

90.454

Acid Dissociation Constant (pKa)

7.19

Base Dissociation Constant (pKb)

5.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

4489-8506 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4489-8506 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4489-8506?
Check Price and Availability of 4489-8506, 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 4489-8506 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4489-8506
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4489-8506
  • 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 4489-8506 available by request