4410-4516 Screening compound: N-[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-methylbutanamide

4410-4516 Screening compound: N-[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-methylbutanamide
4410-4516 Screening compound: N-[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4410-4516
N-[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-methylbutanamide

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

4410-4516

Molecular Formula

C19H19ClN2O2 (C19 H19 ClN2 O2)

Compound Name

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

IUPAC name

N-[4-chloro-3-(5-methyl-13-benzoxazol-2-yl)phenyl]-3-methylbutanamide

SMILES

CC(C)CC(Nc(cc1)cc(-c2nc(cc(C)cc3)c3o2)c1Cl)=O

InChI

InChI=1S/C19H19ClN2O2/c1-11(2)8-18(23)21-13-5-6-15(20)14(10-13)19-22-16-9-12(3)4-7-17(16)24-19/h4-7,9-11H,8H2,1-3H3,(H,21,23)

InChI Key

IWTYEAHFBRQIQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02908411

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.82

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

5.303

Distribution Coefficient, logD

5.303

Water Solubility, LogSw

-5.83

Polar Surface Area

40.198

Acid Dissociation Constant (pKa)

11.19

Base Dissociation Constant (pKb)

-0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

4410-4516 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

C-Met Library (15277 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:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cardiovascular
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4410-4516 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4410-4516?
Check Price and Availability of 4410-4516, 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 4410-4516 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4410-4516
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4410-4516
  • 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 4410-4516 available by request