1067-0627 Screening compound: N-[5-({N'-[(E)-(2,4-dihydroxyphenyl)methylidene]hydrazinecarbonyl}methyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide

1067-0627 Screening compound: N-[5-({N'-[(E)-(2,4-dihydroxyphenyl)methylidene]hydrazinecarbonyl}methyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
1067-0627 Screening compound: N-[5-({N'-[(E)-(2,4-dihydroxyphenyl)methylidene]hydrazinecarbonyl}methyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1067-0627
N-[5-({N'-[(E)-(2,4-dihydroxyphenyl)methylidene]hydrazinecarbonyl}methyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide

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

1067-0627

Molecular Formula

C19H17N5O5S (C19 H17 N5 O5 S)

Compound Name

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

IUPAC name

N-[5-({N'-[(E)-(24-dihydroxyphenyl)methylidene]hydrazinecarbonyl}methyl)-134-thiadiazol-2-yl]-4-methoxybenzamide

SMILES

COc(cc1)ccc1C(Nc1nnc(CC(N/N=C/c(ccc(O)c2)c2O)=O)s1)=O

InChI

InChI=1S/C19H17N5O5S/c1-29-14-6-3-11(4-7-14)18(28)21-19-24-23-17(30-19)9-16(27)22-20-10-12-2-5-13(25)8-15(12)26/h2-8,10,25-26H,9H2,1H3,(H,22,27)(H,21,24,28)

InChI Key

NKMZIMQRINZCND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00681457

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.496

Distribution Coefficient, logD

2.262

Water Solubility, LogSw

-2.92

Polar Surface Area

124.181

Acid Dissociation Constant (pKa)

7.55

Base Dissociation Constant (pKb)

1.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

1067-0627 in Drug Discovery

Included in Screening Libraries

Human Ion Channels Annotated Library (353 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1067-0627 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1067-0627 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1067-0627
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1067-0627
  • 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 1067-0627 available by request