C226-3365 Screening compound: methyl 2-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-amido)benzoate

C226-3365 Screening compound: methyl 2-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-amido)benzoate
C226-3365 Screening compound: methyl 2-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-amido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-3365
methyl 2-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-amido)benzoate

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

C226-3365

Molecular Formula

C16H16N2O4 (C16 H16 N2 O4)

Compound Name

methyl 2-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-amido)benzoate

IUPAC name

methyl 2-(4567-tetrahydro-12-benzoxazole-3-amido)benzoate

SMILES

COC(c(cccc1)c1NC(c1noc2c1CCCC2)=O)=O

InChI

InChI=1S/C16H16N2O4/c1-21-16(20)10-6-2-4-8-12(10)17-15(19)14-11-7-3-5-9-13(11)22-18-14/h2,4,6,8H,3,5,7,9H2,1H3,(H,17,19)

InChI Key

LIYYZKFDTFGNRG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09783045

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.759

Distribution Coefficient, logD

2.592

Water Solubility, LogSw

-3.37

Polar Surface Area

66.206

Acid Dissociation Constant (pKa)

7.73

Base Dissociation Constant (pKb)

-4.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

C226-3365 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C226-3365 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-3365?
Check Price and Availability of C226-3365, 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 C226-3365 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-3365
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-3365
  • 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 C226-3365 available by request