4168-2547 Screening compound: N-[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-methoxybenzamide

4168-2547 Screening compound: N-[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-methoxybenzamide
4168-2547 Screening compound: N-[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4168-2547
N-[2-(3-chloro-4-methoxyphenyl)-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

4168-2547

Molecular Formula

C22H17ClN2O4 (C22 H17 ClN2 O4)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C22H17ClN2O4/c1-27-16-7-3-13(4-8-16)21(26)24-15-6-10-20-18(12-15)25-22(29-20)14-5-9-19(28-2)17(23)11-14/h3-12H,1-2H3,(H,24,26)

InChI Key

JNHIESMLBJMVPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02803724

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.84

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.769

Distribution Coefficient, logD

4.768

Water Solubility, LogSw

-5.04

Polar Surface Area

55.314

Acid Dissociation Constant (pKa)

10.26

Base Dissociation Constant (pKb)

-2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

4168-2547 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Cardiovascular Library (22201 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular

References: we are preparing a list of scientific research reports with 4168-2547 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4168-2547?
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What is the minimum amount of 4168-2547 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4168-2547
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4168-2547
  • 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 4168-2547 available by request