1067-0644 Screening compound: N-[5-({N'-[(E)-[4-(dimethylamino)phenyl]methylidene]hydrazinecarbonyl}methyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide

1067-0644 Screening compound: N-[5-({N'-[(E)-[4-(dimethylamino)phenyl]methylidene]hydrazinecarbonyl}methyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
1067-0644 Screening compound: N-[5-({N'-[(E)-[4-(dimethylamino)phenyl]methylidene]hydrazinecarbonyl}methyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1067-0644
N-[5-({N'-[(E)-[4-(dimethylamino)phenyl]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

1067-0644

Molecular Formula

C21H22N6O3S (C21 H22 N6 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CN(C)c1ccc(/C=N/NC(Cc2nnc(NC(c(cc3)ccc3OC)=O)s2)=O)cc1

InChI

InChI=1S/C21H22N6O3S/c1-27(2)16-8-4-14(5-9-16)13-22-24-18(28)12-19-25-26-21(31-19)23-20(29)15-6-10-17(30-3)11-7-15/h4-11,13H,12H2,1-3H3,(H,24,28)(H,23,26,29)

InChI Key

MDNFKDKGYCVRHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00681841

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.000

Distribution Coefficient, logD

2.766

Water Solubility, LogSw

-3.53

Polar Surface Area

92.821

Acid Dissociation Constant (pKa)

7.55

Base Dissociation Constant (pKb)

8.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with 1067-0644 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1067-0644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1067-0644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1067-0644
  • 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 1067-0644 available by request