4171-0230 Screening compound: (4E)-4-{[4-(dimethylamino)phenyl]methylidene}-3-methyl-4,5-dihydro-1,2-oxazol-5-one

4171-0230 Screening compound: (4E)-4-{[4-(dimethylamino)phenyl]methylidene}-3-methyl-4,5-dihydro-1,2-oxazol-5-one
4171-0230 Screening compound: (4E)-4-{[4-(dimethylamino)phenyl]methylidene}-3-methyl-4,5-dihydro-1,2-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4171-0230
(4E)-4-{[4-(dimethylamino)phenyl]methylidene}-3-methyl-4,5-dihydro-1,2-oxazol-5-one

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

4171-0230

Molecular Formula

C13H14N2O2 (C13 H14 N2 O2)

Compound Name

(4E)-4-{[4-(dimethylamino)phenyl]methylidene}-3-methyl-4,5-dihydro-1,2-oxazol-5-one

IUPAC name

(4E)-4-{[4-(dimethylamino)phenyl]methylidene}-3-methyl-45-dihydro-12-oxazol-5-one

SMILES

CC(/C1=C\c(cc2)ccc2N(C)C)=NOC1=O

InChI

InChI=1S/C13H14N2O2/c1-9-12(13(16)17-14-9)8-10-4-6-11(7-5-10)15(2)3/h4-8H,1-3H3

InChI Key

WGOROJCAWHZHAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00510908

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

230.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.102

Distribution Coefficient, logD

2.102

Water Solubility, LogSw

-2.53

Polar Surface Area

37.941

Acid Dissociation Constant (pKa)

27.38

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

4171-0230 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4171-0230 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4171-0230?
Check Price and Availability of 4171-0230, 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 4171-0230 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4171-0230
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4171-0230
  • 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 4171-0230 available by request