1322-0024 Screening compound: N'-[(2E)-1-(1H-1,2,3-benzotriazol-1-yl)propan-2-ylidene]-4-bromobenzohydrazide

1322-0024 Screening compound: N'-[(2E)-1-(1H-1,2,3-benzotriazol-1-yl)propan-2-ylidene]-4-bromobenzohydrazide
1322-0024 Screening compound: N'-[(2E)-1-(1H-1,2,3-benzotriazol-1-yl)propan-2-ylidene]-4-bromobenzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1322-0024
N'-[(2E)-1-(1H-1,2,3-benzotriazol-1-yl)propan-2-ylidene]-4-bromobenzohydrazide

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

1322-0024

Molecular Formula

C16H14BrN5O (C16 H14 BrN5 O)

Compound Name

N'-[(2E)-1-(1H-1,2,3-benzotriazol-1-yl)propan-2-ylidene]-4-bromobenzohydrazide

IUPAC name

N'-[(2E)-1-(1H-123-benzotriazol-1-yl)propan-2-ylidene]-4-bromobenzohydrazide

SMILES

C/C(/Cn1nnc2c1cccc2)=N\NC(c(cc1)ccc1Br)=O

InChI

InChI=1S/C16H14BrN5O/c1-11(10-22-15-5-3-2-4-14(15)19-21-22)18-20-16(23)12-6-8-13(17)9-7-12/h2-9H,10H2,1H3,(H,20,23)

InChI Key

LSDUBEVQVZCJOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01245416

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.22

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.993

Distribution Coefficient, logD

2.908

Water Solubility, LogSw

-3.16

Polar Surface Area

60.621

Acid Dissociation Constant (pKa)

8.06

Base Dissociation Constant (pKb)

2.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

1322-0024 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

Frequent Hitters Library (7624 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Pool

References: we are preparing a list of scientific research reports with 1322-0024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1322-0024?
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What is the minimum amount of 1322-0024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1322-0024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1322-0024
  • 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 1322-0024 available by request