1067-0545 Screening compound: 3-[5-({N'-[(E)-(2-methoxyphenyl)methylidene]hydrazinecarbonyl}methyl)-1,3,4-thiadiazol-2-yl]-1-phenylurea

1067-0545 Screening compound: 3-[5-({N'-[(E)-(2-methoxyphenyl)methylidene]hydrazinecarbonyl}methyl)-1,3,4-thiadiazol-2-yl]-1-phenylurea
1067-0545 Screening compound: 3-[5-({N'-[(E)-(2-methoxyphenyl)methylidene]hydrazinecarbonyl}methyl)-1,3,4-thiadiazol-2-yl]-1-phenylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound 1067-0545
3-[5-({N'-[(E)-(2-methoxyphenyl)methylidene]hydrazinecarbonyl}methyl)-1,3,4-thiadiazol-2-yl]-1-phenylurea

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

1067-0545

Molecular Formula

C19H18N6O3S (C19 H18 N6 O3 S)

Compound Name

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

IUPAC name

3-[5-({N'-[(E)-(2-methoxyphenyl)methylidene]hydrazinecarbonyl}methyl)-134-thiadiazol-2-yl]-1-phenylurea

SMILES

COc1c(/C=N/NC(Cc2nnc(NC(Nc3ccccc3)=O)s2)=O)cccc1

InChI

InChI=1S/C19H18N6O3S/c1-28-15-10-6-5-7-13(15)12-20-23-16(26)11-17-24-25-19(29-17)22-18(27)21-14-8-3-2-4-9-14/h2-10,12H,11H2,1H3,(H,23,26)(H2,21,22,25,27)

InChI Key

QWRGNWIYEULTNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00681791

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.630

Distribution Coefficient, logD

3.628

Water Solubility, LogSw

-4.04

Polar Surface Area

99.314

Acid Dissociation Constant (pKa)

9.66

Base Dissociation Constant (pKb)

1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

References: we are preparing a list of scientific research reports with 1067-0545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1067-0545?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1067-0545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1067-0545
  • 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 1067-0545 available by request