1067-0559 Screening compound: 1-phenyl-3-[5-({N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]hydrazinecarbonyl}methyl)-1,3,4-thiadiazol-2-yl]urea

1067-0559 Screening compound: 1-phenyl-3-[5-({N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]hydrazinecarbonyl}methyl)-1,3,4-thiadiazol-2-yl]urea
1067-0559 Screening compound: 1-phenyl-3-[5-({N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]hydrazinecarbonyl}methyl)-1,3,4-thiadiazol-2-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 1067-0559
1-phenyl-3-[5-({N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]hydrazinecarbonyl}methyl)-1,3,4-thiadiazol-2-yl]urea

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

1067-0559

Molecular Formula

C21H22N6O5S (C21 H22 N6 O5 S)

Compound Name

1-phenyl-3-[5-({N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]hydrazinecarbonyl}methyl)-1,3,4-thiadiazol-2-yl]urea

IUPAC name

1-phenyl-3-[5-({N'-[(E)-(345-trimethoxyphenyl)methylidene]hydrazinecarbonyl}methyl)-134-thiadiazol-2-yl]urea

SMILES

COc1cc(/C=N/NC(Cc2nnc(NC(Nc3ccccc3)=O)s2)=O)cc(OC)c1OC

InChI

InChI=1S/C21H22N6O5S/c1-30-15-9-13(10-16(31-2)19(15)32-3)12-22-25-17(28)11-18-26-27-21(33-18)24-20(29)23-14-7-5-4-6-8-14/h4-10,12H,11H2,1-3H3,(H,25,28)(H2,23,24,27,29)

InChI Key

MFVXGPBIPWSZNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01536431

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.100

Distribution Coefficient, logD

3.098

Water Solubility, LogSw

-3.53

Polar Surface Area

114.662

Acid Dissociation Constant (pKa)

9.66

Base Dissociation Constant (pKb)

5.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with 1067-0559 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1067-0559?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1067-0559
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1067-0559
  • 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 1067-0559 available by request