4872-0664 Screening compound: N'-[(1Z)-2-chloro-3,3-bis(phenylsulfanyl)prop-2-en-1-ylidene]-4-methylbenzene-1-sulfonohydrazide

4872-0664 Screening compound: N'-[(1Z)-2-chloro-3,3-bis(phenylsulfanyl)prop-2-en-1-ylidene]-4-methylbenzene-1-sulfonohydrazide
4872-0664 Screening compound: N'-[(1Z)-2-chloro-3,3-bis(phenylsulfanyl)prop-2-en-1-ylidene]-4-methylbenzene-1-sulfonohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4872-0664
N'-[(1Z)-2-chloro-3,3-bis(phenylsulfanyl)prop-2-en-1-ylidene]-4-methylbenzene-1-sulfonohydrazide

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

4872-0664

Molecular Formula

C22H19ClN2O2S3 (C22 H19 ClN2 O2 S3)

Compound Name

N'-[(1Z)-2-chloro-3,3-bis(phenylsulfanyl)prop-2-en-1-ylidene]-4-methylbenzene-1-sulfonohydrazide

IUPAC name

N'-[(1Z)-2-chloro-33-bis(phenylsulfanyl)prop-2-en-1-ylidene]-4-methylbenzene-1-sulfonohydrazide

SMILES

Cc(cc1)ccc1S(N/N=C\C(Cl)=C(Sc1ccccc1)Sc1ccccc1)(=O)=O

InChI

InChI=1S/C22H19ClN2O2S3/c1-17-12-14-20(15-13-17)30(26,27)25-24-16-21(23)22(28-18-8-4-2-5-9-18)29-19-10-6-3-7-11-19/h2-16,25H,1H3

InChI Key

XBLALUIZAUNYRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03827090

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.06

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.855

Distribution Coefficient, logD

3.196

Water Solubility, LogSw

-6.46

Polar Surface Area

50.557

Acid Dissociation Constant (pKa)

3.74

Base Dissociation Constant (pKb)

-1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

References: we are preparing a list of scientific research reports with 4872-0664 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4872-0664?
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What is the minimum amount of 4872-0664 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4872-0664
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4872-0664
  • 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 4872-0664 available by request