8009-7683 Screening compound: 1-(2-chloro-4,5-difluorobenzoyl)-1H-1,2,3-benzotriazole

8009-7683 Screening compound: 1-(2-chloro-4,5-difluorobenzoyl)-1H-1,2,3-benzotriazole
8009-7683 Screening compound: 1-(2-chloro-4,5-difluorobenzoyl)-1H-1,2,3-benzotriazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-7683
1-(2-chloro-4,5-difluorobenzoyl)-1H-1,2,3-benzotriazole

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

8009-7683

Molecular Formula

C13H6ClF2N3O (C13 H6 ClF2 N3 O)

Compound Name

1-(2-chloro-4,5-difluorobenzoyl)-1H-1,2,3-benzotriazole

IUPAC name

1-(2-chloro-45-difluorobenzoyl)-1H-123-benzotriazole

SMILES

O=C(c(cc(c(F)c1)F)c1Cl)n1nnc2c1cccc2

InChI

InChI=1S/C13H6ClF2N3O/c14-8-6-10(16)9(15)5-7(8)13(20)19-12-4-2-1-3-11(12)17-18-19/h1-6H

InChI Key

LUXOMVBFPISBTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01820188

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.66

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.973

Distribution Coefficient, logD

2.973

Water Solubility, LogSw

-3.72

Polar Surface Area

38.996

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8009-7683 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8009-7683 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-7683?
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What is the minimum amount of 8009-7683 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-7683
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-7683
  • 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 8009-7683 available by request