3456-0968 Screening compound: (2Z)-2-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazin-1-ylidene]-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazinane-6-carboxamide

3456-0968 Screening compound: (2Z)-2-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazin-1-ylidene]-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazinane-6-carboxamide
3456-0968 Screening compound: (2Z)-2-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazin-1-ylidene]-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazinane-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3456-0968
(2Z)-2-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazin-1-ylidene]-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazinane-6-carboxamide

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

3456-0968

Molecular Formula

C22H25N5O5S2 (C22 H25 N5 O5 S2)

Compound Name

(2Z)-2-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazin-1-ylidene]-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazinane-6-carboxamide

IUPAC name

(2Z)-2-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazin-1-ylidene]-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-13-thiazinane-6-carboxamide

SMILES

C/C(/c(cc1)ccc1OC)=N/N=C(/NC(C1)=O)\SC1C(NCCc(cc1)ccc1S(N)(=O)=O)=O

InChI

InChI=1S/C22H25N5O5S2/c1-14(16-5-7-17(32-2)8-6-16)26-27-22-25-20(28)13-19(33-22)21(29)24-12-11-15-3-9-18(10-4-15)34(23,30)31/h3-10,19H,11-13H2,1-2H3,(H,24,29)(H2,23,30,31)(H,25,27,28)/t19-/m0/s1

InChI Key

UZUUTWTWIQRCOE-IBGZPJMESA-N

MDL Number (MFCD)

MFCD02108136

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.6

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.435

Distribution Coefficient, logD

1.426

Water Solubility, LogSw

-2.31

Polar Surface Area

125.957

Acid Dissociation Constant (pKa)

9.08

Base Dissociation Constant (pKb)

4.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with 3456-0968 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3456-0968?
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What is the minimum amount of 3456-0968 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3456-0968
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3456-0968
  • 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 3456-0968 available by request