5443-0184 Screening compound: N-[2-(3-bromo-4-hydroxyphenyl)-1,3-benzoxazol-5-yl]-1-benzofuran-2-carboxamide

5443-0184 Screening compound: N-[2-(3-bromo-4-hydroxyphenyl)-1,3-benzoxazol-5-yl]-1-benzofuran-2-carboxamide
5443-0184 Screening compound: N-[2-(3-bromo-4-hydroxyphenyl)-1,3-benzoxazol-5-yl]-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5443-0184
N-[2-(3-bromo-4-hydroxyphenyl)-1,3-benzoxazol-5-yl]-1-benzofuran-2-carboxamide

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

5443-0184

Molecular Formula

C22H13BrN2O4 (C22 H13 BrN2 O4)

Compound Name

N-[2-(3-bromo-4-hydroxyphenyl)-1,3-benzoxazol-5-yl]-1-benzofuran-2-carboxamide

IUPAC name

N-[2-(3-bromo-4-hydroxyphenyl)-13-benzoxazol-5-yl]-1-benzofuran-2-carboxamide

SMILES

Oc(ccc(-c1nc(cc(cc2)NC(c3cc(cccc4)c4o3)=O)c2o1)c1)c1Br

InChI

InChI=1S/C22H13BrN2O4/c23-15-9-13(5-7-17(15)26)22-25-16-11-14(6-8-19(16)29-22)24-21(27)20-10-12-3-1-2-4-18(12)28-20/h1-11,26H,(H,24,27)

InChI Key

HXCRBOLLXGIYCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03565890

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.26

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.782

Distribution Coefficient, logD

5.654

Water Solubility, LogSw

-6.45

Polar Surface Area

64.981

Acid Dissociation Constant (pKa)

7.86

Base Dissociation Constant (pKb)

-0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

5443-0184 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Human Kinases Annotated Library (2415 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 5443-0184 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5443-0184?
Check Price and Availability of 5443-0184, 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 5443-0184 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5443-0184
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5443-0184
  • 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 5443-0184 available by request