2152-0277 Screening compound: N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-4-methoxybenzamide

2152-0277 Screening compound: N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-4-methoxybenzamide
2152-0277 Screening compound: N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2152-0277
N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-4-methoxybenzamide

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

2152-0277

Molecular Formula

C21H14ClFN2O3 (C21 H14 ClFN2 O3)

Compound Name

N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-4-methoxybenzamide

IUPAC name

N-[2-(2-chloro-4-fluorophenyl)-13-benzoxazol-5-yl]-4-methoxybenzamide

SMILES

COc(cc1)ccc1C(Nc(cc1)cc2c1oc(-c(ccc(F)c1)c1Cl)n2)=O

InChI

InChI=1S/C21H14ClFN2O3/c1-27-15-6-2-12(3-7-15)20(26)24-14-5-9-19-18(11-14)25-21(28-19)16-8-4-13(23)10-17(16)22/h2-11H,1H3,(H,24,26)

InChI Key

KNDJKOCZNJIPJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01535035

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.8

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.147

Distribution Coefficient, logD

5.146

Water Solubility, LogSw

-5.62

Polar Surface Area

47.684

Acid Dissociation Constant (pKa)

10.26

Base Dissociation Constant (pKb)

-2.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

2152-0277 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Cardiovascular Library (22201 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:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 2152-0277 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2152-0277?
Check Price and Availability of 2152-0277, 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 2152-0277 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2152-0277
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2152-0277
  • 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 2152-0277 available by request