1067-0490 Screening compound: N-[5-({N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]hydrazinecarbonyl}methyl)-1,3,4-thiadiazol-2-yl]butanamide

1067-0490 Screening compound: N-[5-({N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]hydrazinecarbonyl}methyl)-1,3,4-thiadiazol-2-yl]butanamide
1067-0490 Screening compound: N-[5-({N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]hydrazinecarbonyl}methyl)-1,3,4-thiadiazol-2-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1067-0490
N-[5-({N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]hydrazinecarbonyl}methyl)-1,3,4-thiadiazol-2-yl]butanamide

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

1067-0490

Molecular Formula

C18H23N5O5S (C18 H23 N5 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCCC(Nc1nnc(CC(N/N=C/c(cc2OC)cc(OC)c2OC)=O)s1)=O

InChI

InChI=1S/C18H23N5O5S/c1-5-6-14(24)20-18-23-22-16(29-18)9-15(25)21-19-10-11-7-12(26-2)17(28-4)13(8-11)27-3/h7-8,10H,5-6,9H2,1-4H3,(H,21,25)(H,20,23,24)

InChI Key

AGRVFEINIGLSNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00715311

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.060

Distribution Coefficient, logD

2.030

Water Solubility, LogSw

-2.76

Polar Surface Area

105.508

Acid Dissociation Constant (pKa)

8.56

Base Dissociation Constant (pKb)

5.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

References: we are preparing a list of scientific research reports with 1067-0490 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 1067-0490
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1067-0490
  • 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 1067-0490 available by request