7828-0302 Screening compound: N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]pyridine-3-carboxamide

7828-0302 Screening compound: N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]pyridine-3-carboxamide
7828-0302 Screening compound: N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7828-0302
N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]pyridine-3-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

7828-0302

Molecular Formula

C21H17N3O3 (C21 H17 N3 O3)

Compound Name

N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]pyridine-3-carboxamide

IUPAC name

N-[5-(5-methoxy-13-benzoxazol-2-yl)-2-methylphenyl]pyridine-3-carboxamide

SMILES

Cc(ccc(-c1nc(cc(cc2)OC)c2o1)c1)c1NC(c1cnccc1)=O

InChI

InChI=1S/C21H17N3O3/c1-13-5-6-14(10-17(13)23-20(25)15-4-3-9-22-12-15)21-24-18-11-16(26-2)7-8-19(18)27-21/h3-12H,1-2H3,(H,23,25)

InChI Key

UEGSCOFGDKDPBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05807808

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.372

Distribution Coefficient, logD

3.372

Water Solubility, LogSw

-3.41

Polar Surface Area

56.504

Acid Dissociation Constant (pKa)

11.29

Base Dissociation Constant (pKb)

2.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

7828-0302 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Selective Target Activity Profiling Library (14702 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 7828-0302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7828-0302?
Check Price and Availability of 7828-0302, 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 7828-0302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7828-0302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7828-0302
  • 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 7828-0302 available by request