4168-2546 Screening compound: N-[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-methylbenzamide

4168-2546 Screening compound: N-[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-methylbenzamide
4168-2546 Screening compound: N-[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4168-2546
N-[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-methylbenzamide

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

4168-2546

Molecular Formula

C22H17ClN2O3 (C22 H17 ClN2 O3)

Compound Name

N-[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-methylbenzamide

IUPAC name

N-[2-(3-chloro-4-methoxyphenyl)-13-benzoxazol-5-yl]-4-methylbenzamide

SMILES

Cc(cc1)ccc1C(Nc(cc1)cc2c1oc(-c(cc1)cc(Cl)c1OC)n2)=O

InChI

InChI=1S/C22H17ClN2O3/c1-13-3-5-14(6-4-13)21(26)24-16-8-10-20-18(12-16)25-22(28-20)15-7-9-19(27-2)17(23)11-15/h3-12H,1-2H3,(H,24,26)

InChI Key

HDLOEAJBFWHKJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02803723

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.84

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

5.210

Distribution Coefficient, logD

5.209

Water Solubility, LogSw

-5.79

Polar Surface Area

47.770

Acid Dissociation Constant (pKa)

9.85

Base Dissociation Constant (pKb)

-2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

4168-2546 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Cardiovascular Library (22201 compounds)

Human Receptors Annotated Library (5376 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:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 4168-2546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4168-2546?
Check Price and Availability of 4168-2546, 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 4168-2546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4168-2546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4168-2546
  • 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 4168-2546 available by request