4478-5377 Screening compound: 1-(3-bromobenzoyl)-1H-1,2,3-benzotriazole

4478-5377 Screening compound: 1-(3-bromobenzoyl)-1H-1,2,3-benzotriazole
4478-5377 Screening compound: 1-(3-bromobenzoyl)-1H-1,2,3-benzotriazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4478-5377
1-(3-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

4478-5377

Molecular Formula

C13H8BrN3O (C13 H8 BrN3 O)

Compound Name

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

IUPAC name

1-(3-bromobenzoyl)-1H-123-benzotriazole

SMILES

O=C(c1cccc(Br)c1)n1nnc2c1cccc2

InChI

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

InChI Key

FDODEPGJMIPNBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00554088

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

2.888

Distribution Coefficient, logD

2.888

Water Solubility, LogSw

-3.16

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

4478-5377 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

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 4478-5377 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4478-5377?
Check Price and Availability of 4478-5377, 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 4478-5377 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4478-5377
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4478-5377
  • 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 4478-5377 available by request