2165-0938 Screening compound: (4E)-4-[(6-chloro-4-oxo-4H-chromen-3-yl)methylidene]-2-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-5-one

2165-0938 Screening compound: (4E)-4-[(6-chloro-4-oxo-4H-chromen-3-yl)methylidene]-2-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-5-one
2165-0938 Screening compound: (4E)-4-[(6-chloro-4-oxo-4H-chromen-3-yl)methylidene]-2-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2165-0938
(4E)-4-[(6-chloro-4-oxo-4H-chromen-3-yl)methylidene]-2-(3-methylphenyl)-4,5-dihydro-1,3-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

2165-0938

Molecular Formula

C20H12ClNO4 (C20 H12 ClNO4)

Compound Name

(4E)-4-[(6-chloro-4-oxo-4H-chromen-3-yl)methylidene]-2-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-5-one

IUPAC name

(4E)-4-[(6-chloro-4-oxo-4H-chromen-3-yl)methylidene]-2-(3-methylphenyl)-45-dihydro-13-oxazol-5-one

SMILES

Cc1cccc(C(OC2=O)=N/C2=C/C2=COc(ccc(Cl)c3)c3C2=O)c1

InChI

InChI=1S/C20H12ClNO4/c1-11-3-2-4-12(7-11)19-22-16(20(24)26-19)8-13-10-25-17-6-5-14(21)9-15(17)18(13)23/h2-10H,1H3

InChI Key

VNTZWYIJEIXJMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01537698

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.77

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.992

Distribution Coefficient, logD

3.992

Water Solubility, LogSw

-4.47

Polar Surface Area

51.269

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-1.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

2165-0938 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2165-0938 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2165-0938?
Check Price and Availability of 2165-0938, 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 2165-0938 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2165-0938
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2165-0938
  • 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 2165-0938 available by request