3729-2806 Screening compound: N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]-1-benzofuran-2-carboxamide

3729-2806 Screening compound: N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]-1-benzofuran-2-carboxamide
3729-2806 Screening compound: N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3729-2806
N-[2-(4-methylphenyl)-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

3729-2806

Molecular Formula

C23H16N2O3 (C23 H16 N2 O3)

Compound Name

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

IUPAC name

N-[2-(4-methylphenyl)-13-benzoxazol-5-yl]-1-benzofuran-2-carboxamide

SMILES

Cc(cc1)ccc1-c1nc(cc(cc2)NC(c3cc(cccc4)c4o3)=O)c2o1

InChI

InChI=1S/C23H16N2O3/c1-14-6-8-15(9-7-14)23-25-18-13-17(10-11-20(18)28-23)24-22(26)21-12-16-4-2-3-5-19(16)27-21/h2-13H,1H3,(H,24,26)

InChI Key

KSORTVKKMYMHFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01815585

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.925

Distribution Coefficient, logD

5.925

Water Solubility, LogSw

-6.31

Polar Surface Area

48.433

Acid Dissociation Constant (pKa)

10.21

Base Dissociation Constant (pKb)

-0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

3729-2806 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with 3729-2806 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3729-2806?
Check Price and Availability of 3729-2806, 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 3729-2806 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3729-2806
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3729-2806
  • 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 3729-2806 available by request