4772-0593 Screening compound: 3-[2-[(E)-1-(1,3-benzodioxol-5-yl)methylidene]-1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)hydrazino]-N~1~-cyclohexylpropanamide

4772-0593 Screening compound: 3-[2-[(E)-1-(1,3-benzodioxol-5-yl)methylidene]-1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)hydrazino]-N~1~-cyclohexylpropanamide
4772-0593 Screening compound: 3-[2-[(E)-1-(1,3-benzodioxol-5-yl)methylidene]-1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)hydrazino]-N~1~-cyclohexylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4772-0593
3-[2-[(E)-1-(1,3-benzodioxol-5-yl)methylidene]-1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)hydrazino]-N~1~-cyclohexylpropanamide

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

4772-0593

Molecular Formula

C24H26N4O5S (C24 H26 N4 O5 S)

Compound Name

3-[2-[(E)-1-(1,3-benzodioxol-5-yl)methylidene]-1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)hydrazino]-N~1~-cyclohexylpropanamide

IUPAC name

3-[(2E)-2-[(2H-13-benzodioxol-5-yl)methylidene]-1-(11-dioxo-1lambda62-benzothiazol-3-yl)hydrazin-1-yl]-N-cyclohexylpropanamide

SMILES

O=C(CCN(C(c1c2cccc1)=NS2(=O)=O)/N=C/c(cc1)cc2c1OCO2)NC1CCCCC1

InChI

InChI=1S/C24H26N4O5S/c29-23(26-18-6-2-1-3-7-18)12-13-28(24-19-8-4-5-9-22(19)34(30,31)27-24)25-15-17-10-11-20-21(14-17)33-16-32-20/h4-5,8-11,14-15,18H,1-3,6-7,12-13,16H2,(H,26,29)

InChI Key

IDQKDDTWRKCTCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03215098

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.140

Distribution Coefficient, logD

3.140

Water Solubility, LogSw

-3.64

Polar Surface Area

92.214

Acid Dissociation Constant (pKa)

15.41

Base Dissociation Constant (pKb)

1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with 4772-0593 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4772-0593?
Check Price and Availability of 4772-0593, 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 4772-0593 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4772-0593
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4772-0593
  • 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 4772-0593 available by request