3616-1335 Screening compound: 2-(4-chlorophenyl)-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide

3616-1335 Screening compound: 2-(4-chlorophenyl)-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
3616-1335 Screening compound: 2-(4-chlorophenyl)-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3616-1335
2-(4-chlorophenyl)-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide

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

3616-1335

Molecular Formula

C22H17ClN2O2 (C22 H17 ClN2 O2)

Compound Name

2-(4-chlorophenyl)-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide

IUPAC name

2-(4-chlorophenyl)-N-[3-(5-methyl-13-benzoxazol-2-yl)phenyl]acetamide

SMILES

Cc(cc1)cc2c1oc(-c1cccc(NC(Cc(cc3)ccc3Cl)=O)c1)n2

InChI

InChI=1S/C22H17ClN2O2/c1-14-5-10-20-19(11-14)25-22(27-20)16-3-2-4-18(13-16)24-21(26)12-15-6-8-17(23)9-7-15/h2-11,13H,12H2,1H3,(H,24,26)

InChI Key

DIROJQUBXSGHMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02637021

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.84

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.481

Distribution Coefficient, logD

5.481

Water Solubility, LogSw

-5.98

Polar Surface Area

39.926

Acid Dissociation Constant (pKa)

12.76

Base Dissociation Constant (pKb)

0.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

3616-1335 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antifungal Library (16415 compounds)

Nucleic Acid Ligands (8311 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:
  • Infections
  • Immune system
  • animal
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3616-1335 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3616-1335?
Check Price and Availability of 3616-1335, 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 3616-1335 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3616-1335
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3616-1335
  • 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 3616-1335 available by request