8004-6045 Screening compound: 5-bromo-3-phenyl-2,1-benzisoxazole

8004-6045 Screening compound: 5-bromo-3-phenyl-2,1-benzisoxazole
8004-6045 Screening compound: 5-bromo-3-phenyl-2,1-benzisoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-6045
5-bromo-3-phenyl-2,1-benzisoxazole

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

8004-6045

Molecular Formula

C13H8BrNO (C13 H8 BrNO)

Compound Name

5-bromo-3-phenyl-2,1-benzisoxazole

IUPAC name

5-bromo-3-phenyl-21-benzoxazole

SMILES

Brc1cc2c(-c3ccccc3)onc2cc1

InChI

InChI=1S/C13H8BrNO/c14-10-6-7-12-11(8-10)13(16-15-12)9-4-2-1-3-5-9/h1-8H

InChI Key

HKEVIXPPTCEYEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00617160

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

274.12

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.552

Distribution Coefficient, logD

4.552

Water Solubility, LogSw

-4.58

Polar Surface Area

21.722

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-1.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8004-6045 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8004-6045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-6045?
Check Price and Availability of 8004-6045, 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 8004-6045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-6045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-6045
  • 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 8004-6045 available by request