4838-0045 Screening compound: (4Z)-4-{[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]methylidene}-3-methyl-4,5-dihydro-1,2-oxazol-5-one

4838-0045 Screening compound: (4Z)-4-{[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]methylidene}-3-methyl-4,5-dihydro-1,2-oxazol-5-one
4838-0045 Screening compound: (4Z)-4-{[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]methylidene}-3-methyl-4,5-dihydro-1,2-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4838-0045
(4Z)-4-{[3-methoxy-4-(prop-2-yn-1-yloxy)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

4838-0045

Molecular Formula

C15H13NO4 (C15 H13 NO4)

Compound Name

(4Z)-4-{[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]methylidene}-3-methyl-4,5-dihydro-1,2-oxazol-5-one

IUPAC name

(4Z)-4-{[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]methylidene}-3-methyl-45-dihydro-12-oxazol-5-one

SMILES

CC(/C1=C/c(cc2)cc(OC)c2OCC#C)=NOC1=O

InChI

InChI=1S/C15H13NO4/c1-4-7-19-13-6-5-11(9-14(13)18-3)8-12-10(2)16-20-15(12)17/h1,5-6,8-9H,7H2,2-3H3

InChI Key

AWCZPNATUZLPNN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03766887

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

271.27

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.816

Distribution Coefficient, logD

1.816

Water Solubility, LogSw

-2.07

Polar Surface Area

50.271

Acid Dissociation Constant (pKa)

24.96

Base Dissociation Constant (pKb)

-4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

4838-0045 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4838-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4838-0045?
Check Price and Availability of 4838-0045, 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 4838-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4838-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4838-0045
  • 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 4838-0045 available by request