3729-2997 Screening compound: N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-phenylacetamide

3729-2997 Screening compound: N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-phenylacetamide
3729-2997 Screening compound: N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3729-2997
N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-phenylacetamide

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

3729-2997

Molecular Formula

C23H20N2O2 (C23 H20 N2 O2)

Compound Name

N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-phenylacetamide

IUPAC name

N-[2-methyl-5-(6-methyl-13-benzoxazol-2-yl)phenyl]-2-phenylacetamide

SMILES

Cc(cc1)cc2c1nc(-c1cc(NC(Cc3ccccc3)=O)c(C)cc1)o2

InChI

InChI=1S/C23H20N2O2/c1-15-8-11-19-21(12-15)27-23(25-19)18-10-9-16(2)20(14-18)24-22(26)13-17-6-4-3-5-7-17/h3-12,14H,13H2,1-2H3,(H,24,26)

InChI Key

YPHYPSLLWWYMEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01834100

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.42

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

4.740

Distribution Coefficient, logD

4.740

Water Solubility, LogSw

-4.53

Polar Surface Area

39.229

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

-0.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

3729-2997 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

C-Met Library (15277 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3729-2997 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3729-2997?
Check Price and Availability of 3729-2997, 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 3729-2997 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3729-2997
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3729-2997
  • 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 3729-2997 available by request