4528-1617 Screening compound: 2-chloro-4-methyl-N-[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]benzamide

4528-1617 Screening compound: 2-chloro-4-methyl-N-[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]benzamide
4528-1617 Screening compound: 2-chloro-4-methyl-N-[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4528-1617
2-chloro-4-methyl-N-[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]benzamide

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

4528-1617

Molecular Formula

C20H14ClN3O2 (C20 H14 ClN3 O2)

Compound Name

2-chloro-4-methyl-N-[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]benzamide

IUPAC name

2-chloro-4-methyl-N-[2-(pyridin-4-yl)-13-benzoxazol-5-yl]benzamide

SMILES

Cc(cc1)cc(Cl)c1C(Nc(cc1)cc2c1oc(-c1ccncc1)n2)=O

InChI

InChI=1S/C20H14ClN3O2/c1-12-2-4-15(16(21)10-12)19(25)23-14-3-5-18-17(11-14)24-20(26-18)13-6-8-22-9-7-13/h2-11H,1H3,(H,23,25)

InChI Key

ZOJJYMIJYBOLFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02990732

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.8

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

4.255

Distribution Coefficient, logD

4.241

Water Solubility, LogSw

-4.66

Polar Surface Area

49.568

Acid Dissociation Constant (pKa)

8.91

Base Dissociation Constant (pKb)

4.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

4528-1617 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 4528-1617 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4528-1617?
Check Price and Availability of 4528-1617, 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 4528-1617 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4528-1617
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4528-1617
  • 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 4528-1617 available by request