1067-0556 Screening compound: 3-[5-({N'-[(E)-(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydrazinecarbonyl}methyl)-1,3,4-thiadiazol-2-yl]-1-phenylurea

1067-0556 Screening compound: 3-[5-({N'-[(E)-(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydrazinecarbonyl}methyl)-1,3,4-thiadiazol-2-yl]-1-phenylurea
1067-0556 Screening compound: 3-[5-({N'-[(E)-(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydrazinecarbonyl}methyl)-1,3,4-thiadiazol-2-yl]-1-phenylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound 1067-0556
3-[5-({N'-[(E)-(6-nitro-2H-1,3-benzodioxol-5-yl)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

1067-0556

Molecular Formula

C19H15N7O6S (C19 H15 N7 O6 S)

Compound Name

3-[5-({N'-[(E)-(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydrazinecarbonyl}methyl)-1,3,4-thiadiazol-2-yl]-1-phenylurea

IUPAC name

3-[5-({N'-[(E)-(6-nitro-2H-13-benzodioxol-5-yl)methylidene]hydrazinecarbonyl}methyl)-134-thiadiazol-2-yl]-1-phenylurea

SMILES

[O-][N+](c1c(/C=N/NC(Cc2nnc(NC(Nc3ccccc3)=O)s2)=O)cc2OCOc2c1)=O

InChI

InChI=1S/C19H15N7O6S/c27-16(23-20-9-11-6-14-15(32-10-31-14)7-13(11)26(29)30)8-17-24-25-19(33-17)22-18(28)21-12-4-2-1-3-5-12/h1-7,9H,8,10H2,(H,23,27)(H2,21,22,25,28)

InChI Key

MYUPPARVIVGUFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00682055

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.44

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

3.191

Distribution Coefficient, logD

3.189

Water Solubility, LogSw

-3.59

Polar Surface Area

141.880

Acid Dissociation Constant (pKa)

9.66

Base Dissociation Constant (pKb)

3.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

References: we are preparing a list of scientific research reports with 1067-0556 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1067-0556
ChemDiv sends parcels with Express services (UPS, WC).
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  • 2–4 weeks for large selections
Delivery formats for 1067-0556
  • 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 1067-0556 available by request