0814-0076 Screening compound: 1-(4-bromobenzoyl)-1H-1,2,3-benzotriazole

0814-0076 Screening compound: 1-(4-bromobenzoyl)-1H-1,2,3-benzotriazole
0814-0076 Screening compound: 1-(4-bromobenzoyl)-1H-1,2,3-benzotriazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 0814-0076
1-(4-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

0814-0076

Molecular Formula

C13H8BrN3O (C13 H8 BrN3 O)

Compound Name

1-(4-bromobenzoyl)-1H-1,2,3-benzotriazole

IUPAC name

1-(4-bromobenzoyl)-1H-123-benzotriazole

SMILES

O=C(c(cc1)ccc1Br)n1nnc2c1cccc2

InChI

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

InChI Key

HJPNHGVNYCBIIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00517334

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

2.957

Distribution Coefficient, logD

2.957

Water Solubility, LogSw

-3.14

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

0814-0076 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Frequent Hitters Library (7624 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Agro:
  • Agro
Structure:
  • Pool
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 0814-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0814-0076?
Check Price and Availability of 0814-0076, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 0814-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0814-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0814-0076
  • 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 0814-0076 available by request