1778-0495 Screening compound: 1-(2-bromobenzoyl)-1H-1,2,3-benzotriazole

1778-0495 Screening compound: 1-(2-bromobenzoyl)-1H-1,2,3-benzotriazole
1778-0495 Screening compound: 1-(2-bromobenzoyl)-1H-1,2,3-benzotriazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 1778-0495
1-(2-bromobenzoyl)-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

1778-0495

Molecular Formula

C13H8BrN3O (C13 H8 BrN3 O)

Compound Name

1-(2-bromobenzoyl)-1H-1,2,3-benzotriazole

IUPAC name

1-(2-bromobenzoyl)-1H-123-benzotriazole

SMILES

O=C(c(cccc1)c1Br)n1nnc2c1cccc2

InChI

InChI=1S/C13H8BrN3O/c14-10-6-2-1-5-9(10)13(18)17-12-8-4-3-7-11(12)15-16-17/h1-8H

InChI Key

OOEZSKVBQUKOOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00590080

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.13

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

2.450

Distribution Coefficient, logD

2.450

Water Solubility, LogSw

-2.65

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

1778-0495 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 1778-0495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1778-0495?
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What is the minimum amount of 1778-0495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1778-0495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1778-0495
  • 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 1778-0495 available by request