4340-0653 Screening compound: 5-{[2-(3,4-DIMETHOXYPHENYL)ETHYL]AMINO}-2-(4-METHYLPHENYL)-1,3-OXAZOLE-4-CARBONITRILE

4340-0653 Screening compound: 5-{[2-(3,4-DIMETHOXYPHENYL)ETHYL]AMINO}-2-(4-METHYLPHENYL)-1,3-OXAZOLE-4-CARBONITRILE
4340-0653 Screening compound: 5-{[2-(3,4-DIMETHOXYPHENYL)ETHYL]AMINO}-2-(4-METHYLPHENYL)-1,3-OXAZOLE-4-CARBONITRILE alternative view

Chemical Structure Depiction of ChemDiv screening compound 4340-0653
5-{[2-(3,4-DIMETHOXYPHENYL)ETHYL]AMINO}-2-(4-METHYLPHENYL)-1,3-OXAZOLE-4-CARBONITRILE

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

4340-0653

Molecular Formula

C21H21N3O3 (C21 H21 N3 O3)

Compound Name

5-{[2-(3,4-DIMETHOXYPHENYL)ETHYL]AMINO}-2-(4-METHYLPHENYL)-1,3-OXAZOLE-4-CARBONITRILE

IUPAC name

5-{[2-(34-dimethoxyphenyl)ethyl]amino}-2-(4-methylphenyl)-13-oxazole-4-carbonitrile

SMILES

Cc(cc1)ccc1-c1nc(C#N)c(NCCc(cc2)cc(OC)c2OC)o1

InChI

InChI=1S/C21H21N3O3/c1-14-4-7-16(8-5-14)20-24-17(13-22)21(27-20)23-11-10-15-6-9-18(25-2)19(12-15)26-3/h4-9,12,23H,10-11H2,1-3H3

InChI Key

ZRODUQBCCKLIMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02990093

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.457

Distribution Coefficient, logD

3.457

Water Solubility, LogSw

-3.60

Polar Surface Area

61.380

Acid Dissociation Constant (pKa)

16.70

Base Dissociation Constant (pKb)

-4.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

4340-0653 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)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4340-0653 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4340-0653?
Check Price and Availability of 4340-0653, 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 4340-0653 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4340-0653
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4340-0653
  • 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 4340-0653 available by request