1761-0390 Screening compound: 2-(1H-1,2,3-benzotriazol-1-yl)-N'-[(E)-(4-ethoxyphenyl)methylidene]acetohydrazide

1761-0390 Screening compound: 2-(1H-1,2,3-benzotriazol-1-yl)-N'-[(E)-(4-ethoxyphenyl)methylidene]acetohydrazide
1761-0390 Screening compound: 2-(1H-1,2,3-benzotriazol-1-yl)-N'-[(E)-(4-ethoxyphenyl)methylidene]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1761-0390
2-(1H-1,2,3-benzotriazol-1-yl)-N'-[(E)-(4-ethoxyphenyl)methylidene]acetohydrazide

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

1761-0390

Molecular Formula

C17H17N5O2 (C17 H17 N5 O2)

Compound Name

2-(1H-1,2,3-benzotriazol-1-yl)-N'-[(E)-(4-ethoxyphenyl)methylidene]acetohydrazide

IUPAC name

2-(1H-123-benzotriazol-1-yl)-N'-[(E)-(4-ethoxyphenyl)methylidene]acetohydrazide

SMILES

CCOc1ccc(/C=N/NC(Cn2nnc3c2cccc3)=O)cc1

InChI

InChI=1S/C17H17N5O2/c1-2-24-14-9-7-13(8-10-14)11-18-20-17(23)12-22-16-6-4-3-5-15(16)19-21-22/h3-11H,2,12H2,1H3,(H,20,23)

InChI Key

VKTIRKOBJBVQRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00383519

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.086

Distribution Coefficient, logD

2.085

Water Solubility, LogSw

-2.54

Polar Surface Area

68.162

Acid Dissociation Constant (pKa)

10.56

Base Dissociation Constant (pKb)

-1.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

1761-0390 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Frequent Hitters Library (7624 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Pool

References: we are preparing a list of scientific research reports with 1761-0390 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1761-0390?
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What is the minimum amount of 1761-0390 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1761-0390
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1761-0390
  • 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 1761-0390 available by request