Y070-3856 Screening compound: 5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-[(naphthalen-1-yl)methyl]-1,3-oxazole-4-carbonitrile

Y070-3856 Screening compound: 5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-[(naphthalen-1-yl)methyl]-1,3-oxazole-4-carbonitrile
Y070-3856 Screening compound: 5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-[(naphthalen-1-yl)methyl]-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-3856
5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-[(naphthalen-1-yl)methyl]-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

Y070-3856

Molecular Formula

C25H23N3O3 (C25 H23 N3 O3)

Compound Name

5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-[(naphthalen-1-yl)methyl]-1,3-oxazole-4-carbonitrile

IUPAC name

5-{[2-(34-dimethoxyphenyl)ethyl]amino}-2-[(naphthalen-1-yl)methyl]-13-oxazole-4-carbonitrile

SMILES

COc(ccc(CCNc1c(C#N)nc(Cc2cccc3ccccc23)o1)c1)c1OC

InChI

InChI=1S/C25H23N3O3/c1-29-22-11-10-17(14-23(22)30-2)12-13-27-25-21(16-26)28-24(31-25)15-19-8-5-7-18-6-3-4-9-20(18)19/h3-11,14,27H,12-13,15H2,1-2H3

InChI Key

MVSMAYUECPPYMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04197864

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.334

Distribution Coefficient, logD

4.334

Water Solubility, LogSw

-4.53

Polar Surface Area

60.774

Acid Dissociation Constant (pKa)

14.78

Base Dissociation Constant (pKb)

-3.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

Y070-3856 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Human Kinases Annotated Library (2415 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y070-3856 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-3856?
Check Price and Availability of Y070-3856, 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 Y070-3856 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-3856
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-3856
  • 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 Y070-3856 available by request