6298-0064 Screening compound: 3-[2-[(E)-1-(4-bromophenyl)methylidene]-1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)hydrazino]-N~1~-cyclohexylpropanamide

6298-0064 Screening compound: 3-[2-[(E)-1-(4-bromophenyl)methylidene]-1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)hydrazino]-N~1~-cyclohexylpropanamide
6298-0064 Screening compound: 3-[2-[(E)-1-(4-bromophenyl)methylidene]-1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)hydrazino]-N~1~-cyclohexylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6298-0064
3-[2-[(E)-1-(4-bromophenyl)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

6298-0064

Molecular Formula

C23H25BrN4O3S (C23 H25 BrN4 O3 S)

Compound Name

3-[2-[(E)-1-(4-bromophenyl)methylidene]-1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)hydrazino]-N~1~-cyclohexylpropanamide

IUPAC name

3-[(2E)-2-[(4-bromophenyl)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)ccc1Br)NC1CCCCC1

InChI

InChI=1S/C23H25BrN4O3S/c24-18-12-10-17(11-13-18)16-25-28(15-14-22(29)26-19-6-2-1-3-7-19)23-20-8-4-5-9-21(20)32(30,31)27-23/h4-5,8-13,16,19H,1-3,6-7,14-15H2,(H,26,29)

InChI Key

OSUJAQUHBZZVDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03215095

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.910

Distribution Coefficient, logD

3.910

Water Solubility, LogSw

-4.01

Polar Surface Area

75.098

Acid Dissociation Constant (pKa)

15.41

Base Dissociation Constant (pKb)

0.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

References: we are preparing a list of scientific research reports with 6298-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6298-0064?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6298-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6298-0064
  • 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 6298-0064 available by request