1981-1341 Screening compound: N'-[(2Z)-1-(1H-1,2,3-benzotriazol-1-yl)propan-2-ylidene]-2-(2-chlorophenoxy)acetohydrazide

1981-1341 Screening compound: N'-[(2Z)-1-(1H-1,2,3-benzotriazol-1-yl)propan-2-ylidene]-2-(2-chlorophenoxy)acetohydrazide
1981-1341 Screening compound: N'-[(2Z)-1-(1H-1,2,3-benzotriazol-1-yl)propan-2-ylidene]-2-(2-chlorophenoxy)acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1981-1341
N'-[(2Z)-1-(1H-1,2,3-benzotriazol-1-yl)propan-2-ylidene]-2-(2-chlorophenoxy)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

1981-1341

Molecular Formula

C17H16ClN5O2 (C17 H16 ClN5 O2)

Compound Name

N'-[(2Z)-1-(1H-1,2,3-benzotriazol-1-yl)propan-2-ylidene]-2-(2-chlorophenoxy)acetohydrazide

IUPAC name

N'-[(2Z)-1-(1H-123-benzotriazol-1-yl)propan-2-ylidene]-2-(2-chlorophenoxy)acetohydrazide

SMILES

C/C(/Cn1nnc2c1cccc2)=N/NC(COc(cccc1)c1Cl)=O

InChI

InChI=1S/C17H16ClN5O2/c1-12(10-23-15-8-4-3-7-14(15)20-22-23)19-21-17(24)11-25-16-9-5-2-6-13(16)18/h2-9H,10-11H2,1H3,(H,21,24)

InChI Key

ALGDPQMZSRSCJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01532585

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.8

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

2.475

Distribution Coefficient, logD

2.474

Water Solubility, LogSw

-3.02

Polar Surface Area

67.993

Acid Dissociation Constant (pKa)

10.46

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

1981-1341 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1981-1341 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1981-1341 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1981-1341
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1981-1341
  • 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 1981-1341 available by request