1067-0468 Screening compound: N-[5-({N'-[(E)-(4-ethoxy-3-hydroxyphenyl)methylidene]hydrazinecarbonyl}methyl)-1,3,4-thiadiazol-2-yl]butanamide

1067-0468 Screening compound: N-[5-({N'-[(E)-(4-ethoxy-3-hydroxyphenyl)methylidene]hydrazinecarbonyl}methyl)-1,3,4-thiadiazol-2-yl]butanamide
1067-0468 Screening compound: N-[5-({N'-[(E)-(4-ethoxy-3-hydroxyphenyl)methylidene]hydrazinecarbonyl}methyl)-1,3,4-thiadiazol-2-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1067-0468
N-[5-({N'-[(E)-(4-ethoxy-3-hydroxyphenyl)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

1067-0468

Molecular Formula

C17H21N5O4S (C17 H21 N5 O4 S)

Compound Name

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

IUPAC name

N-[5-({N'-[(E)-(4-ethoxy-3-hydroxyphenyl)methylidene]hydrazinecarbonyl}methyl)-134-thiadiazol-2-yl]butanamide

SMILES

CCCC(Nc1nnc(CC(N/N=C/c(cc2)cc(O)c2OCC)=O)s1)=O

InChI

InChI=1S/C17H21N5O4S/c1-3-5-14(24)19-17-22-21-16(27-17)9-15(25)20-18-10-11-6-7-13(26-4-2)12(23)8-11/h6-8,10,23H,3-5,9H2,1-2H3,(H,20,25)(H,19,22,24)

InChI Key

ADYZBFUMUSEQRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00681679

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.044

Distribution Coefficient, logD

2.014

Water Solubility, LogSw

-2.80

Polar Surface Area

106.289

Acid Dissociation Constant (pKa)

8.56

Base Dissociation Constant (pKb)

4.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

References: we are preparing a list of scientific research reports with 1067-0468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1067-0468?
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What is the minimum amount of 1067-0468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1067-0468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1067-0468
  • 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 1067-0468 available by request