4772-0605 Screening compound: 4-{[(E)-2-[3-(cyclohexylamino)-3-oxopropyl]-2-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)hydrazono]methyl}phenyl acetate

4772-0605 Screening compound: 4-{[(E)-2-[3-(cyclohexylamino)-3-oxopropyl]-2-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)hydrazono]methyl}phenyl acetate
4772-0605 Screening compound: 4-{[(E)-2-[3-(cyclohexylamino)-3-oxopropyl]-2-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)hydrazono]methyl}phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4772-0605
4-{[(E)-2-[3-(cyclohexylamino)-3-oxopropyl]-2-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)hydrazono]methyl}phenyl acetate

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

4772-0605

Molecular Formula

C25H28N4O5S (C25 H28 N4 O5 S)

Compound Name

4-{[(E)-2-[3-(cyclohexylamino)-3-oxopropyl]-2-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)hydrazono]methyl}phenyl acetate

IUPAC name

4-[(E)-{2-[2-(cyclohexylcarbamoyl)ethyl]-2-(11-dioxo-1lambda62-benzothiazol-3-yl)hydrazin-1-ylidene}methyl]phenyl acetate

SMILES

CC(Oc1ccc(/C=N/N(CCC(NC2CCCCC2)=O)C(c2c3cccc2)=NS3(=O)=O)cc1)=O

InChI

InChI=1S/C25H28N4O5S/c1-18(30)34-21-13-11-19(12-14-21)17-26-29(16-15-24(31)27-20-7-3-2-4-8-20)25-22-9-5-6-10-23(22)35(32,33)28-25/h5-6,9-14,17,20H,2-4,7-8,15-16H2,1H3,(H,27,31)

InChI Key

CSRQPBQZFVLYFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03215110

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.555

Distribution Coefficient, logD

2.555

Water Solubility, LogSw

-3.07

Polar Surface Area

95.849

Acid Dissociation Constant (pKa)

15.41

Base Dissociation Constant (pKb)

1.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with 4772-0605 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4772-0605?
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What is the minimum amount of 4772-0605 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4772-0605
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4772-0605
  • 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 4772-0605 available by request