D151-0452 Screening compound: 1-{4-cyano-2-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-oxazol-5-yl}piperidine-4-carboxamide

D151-0452 Screening compound: 1-{4-cyano-2-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-oxazol-5-yl}piperidine-4-carboxamide
D151-0452 Screening compound: 1-{4-cyano-2-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-oxazol-5-yl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D151-0452
1-{4-cyano-2-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-oxazol-5-yl}piperidine-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

D151-0452

Molecular Formula

C20H22N4O4 (C20 H22 N4 O4)

Compound Name

1-{4-cyano-2-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-oxazol-5-yl}piperidine-4-carboxamide

IUPAC name

1-{4-cyano-2-[(1E)-2-(34-dimethoxyphenyl)ethenyl]-13-oxazol-5-yl}piperidine-4-carboxamide

SMILES

COc(ccc(/C=C/c1nc(C#N)c(N(CC2)CCC2C(N)=O)o1)c1)c1OC

InChI

InChI=1S/C20H22N4O4/c1-26-16-5-3-13(11-17(16)27-2)4-6-18-23-15(12-21)20(28-18)24-9-7-14(8-10-24)19(22)25/h3-6,11,14H,7-10H2,1-2H3,(H2,22,25)

InChI Key

AXLYOPPESWKQHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06437741

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.080

Distribution Coefficient, logD

2.080

Water Solubility, LogSw

-2.64

Polar Surface Area

88.740

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

4.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

D151-0452 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with D151-0452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D151-0452?
Check Price and Availability of D151-0452, 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 D151-0452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D151-0452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D151-0452
  • 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 D151-0452 available by request