4606-3530 Screening compound: 5-methyl-N-[(oxolan-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide

4606-3530 Screening compound: 5-methyl-N-[(oxolan-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide
4606-3530 Screening compound: 5-methyl-N-[(oxolan-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4606-3530
5-methyl-N-[(oxolan-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide

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

4606-3530

Molecular Formula

C16H18N2O3 (C16 H18 N2 O3)

Compound Name

5-methyl-N-[(oxolan-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide

IUPAC name

5-methyl-N-[(oxolan-2-yl)methyl]-3-phenyl-12-oxazole-4-carboxamide

SMILES

Cc1c(C(NCC2OCCC2)=O)c(-c2ccccc2)no1

InChI

InChI=1S/C16H18N2O3/c1-11-14(16(19)17-10-13-8-5-9-20-13)15(18-21-11)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-10H2,1H3,(H,17,19)/t13-/m1/s1

InChI Key

LEHZJBIFOVUGTP-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD01337286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.395

Distribution Coefficient, logD

1.395

Water Solubility, LogSw

-1.99

Polar Surface Area

55.266

Acid Dissociation Constant (pKa)

13.68

Base Dissociation Constant (pKb)

-1.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

4606-3530 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

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

Fragments Library (11262 compounds)

GABA Library (7115 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
  • Fragments
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Eye
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 4606-3530 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4606-3530?
Check Price and Availability of 4606-3530, 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 4606-3530 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4606-3530
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4606-3530
  • 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 4606-3530 available by request