1067-0329 Screening compound: N-[5-({N'-[(E)-(4-ethoxy-3-hydroxyphenyl)methylidene]hydrazinecarbonyl}methyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide

1067-0329 Screening compound: N-[5-({N'-[(E)-(4-ethoxy-3-hydroxyphenyl)methylidene]hydrazinecarbonyl}methyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
1067-0329 Screening compound: N-[5-({N'-[(E)-(4-ethoxy-3-hydroxyphenyl)methylidene]hydrazinecarbonyl}methyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1067-0329
N-[5-({N'-[(E)-(4-ethoxy-3-hydroxyphenyl)methylidene]hydrazinecarbonyl}methyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide

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

1067-0329

Molecular Formula

C21H21N5O4S (C21 H21 N5 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(ccc(/C=N/NC(Cc1nnc(NC(c2cc(C)ccc2)=O)s1)=O)c1)c1O

InChI

InChI=1S/C21H21N5O4S/c1-3-30-17-8-7-14(10-16(17)27)12-22-24-18(28)11-19-25-26-21(31-19)23-20(29)15-6-4-5-13(2)9-15/h4-10,12,27H,3,11H2,1-2H3,(H,24,28)(H,23,26,29)

InChI Key

JFKVAJHBHSFUAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00681667

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.159

Distribution Coefficient, logD

2.384

Water Solubility, LogSw

-3.14

Polar Surface Area

106.231

Acid Dissociation Constant (pKa)

6.70

Base Dissociation Constant (pKb)

4.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

1067-0329 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1067-0329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1067-0329?
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What is the minimum amount of 1067-0329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1067-0329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1067-0329
  • 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 1067-0329 available by request