4076-0347 Screening compound: 3-(1H-1,2,3-benzotriazol-1-yl)-N'-[(E)-(2,5-dimethoxyphenyl)methylidene]propanehydrazide

4076-0347 Screening compound: 3-(1H-1,2,3-benzotriazol-1-yl)-N'-[(E)-(2,5-dimethoxyphenyl)methylidene]propanehydrazide
4076-0347 Screening compound: 3-(1H-1,2,3-benzotriazol-1-yl)-N'-[(E)-(2,5-dimethoxyphenyl)methylidene]propanehydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4076-0347
3-(1H-1,2,3-benzotriazol-1-yl)-N'-[(E)-(2,5-dimethoxyphenyl)methylidene]propanehydrazide

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

4076-0347

Molecular Formula

C18H19N5O3 (C18 H19 N5 O3)

Compound Name

3-(1H-1,2,3-benzotriazol-1-yl)-N'-[(E)-(2,5-dimethoxyphenyl)methylidene]propanehydrazide

IUPAC name

3-(1H-123-benzotriazol-1-yl)-N'-[(E)-(25-dimethoxyphenyl)methylidene]propanehydrazide

SMILES

COc(cc1)cc(/C=N/NC(CCn2nnc3c2cccc3)=O)c1OC

InChI

InChI=1S/C18H19N5O3/c1-25-14-7-8-17(26-2)13(11-14)12-19-21-18(24)9-10-23-16-6-4-3-5-15(16)20-22-23/h3-8,11-12H,9-10H2,1-2H3,(H,21,24)

InChI Key

DUQVWGSLTRCKKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02831172

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.629

Distribution Coefficient, logD

2.629

Water Solubility, LogSw

-3.06

Polar Surface Area

76.191

Acid Dissociation Constant (pKa)

11.13

Base Dissociation Constant (pKb)

5.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with 4076-0347 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4076-0347?
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What is the minimum amount of 4076-0347 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4076-0347
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4076-0347
  • 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 4076-0347 available by request