2239-0624 Screening compound: (2E)-N-[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-(furan-2-yl)prop-2-enamide

2239-0624 Screening compound: (2E)-N-[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-(furan-2-yl)prop-2-enamide
2239-0624 Screening compound: (2E)-N-[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-(furan-2-yl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2239-0624
(2E)-N-[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-(furan-2-yl)prop-2-enamide

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

2239-0624

Molecular Formula

C21H15ClN2O3 (C21 H15 ClN2 O3)

Compound Name

(2E)-N-[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-(furan-2-yl)prop-2-enamide

IUPAC name

(2E)-N-[4-chloro-3-(5-methyl-13-benzoxazol-2-yl)phenyl]-3-(furan-2-yl)prop-2-enamide

SMILES

Cc(cc1)cc2c1oc(-c(cc(cc1)NC(/C=C/c3ccco3)=O)c1Cl)n2

InChI

InChI=1S/C21H15ClN2O3/c1-13-4-8-19-18(11-13)24-21(27-19)16-12-14(5-7-17(16)22)23-20(25)9-6-15-3-2-10-26-15/h2-12H,1H3,(H,23,25)

InChI Key

VTIJCQYODXQGTQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01832554

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.81

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.327

Distribution Coefficient, logD

5.327

Water Solubility, LogSw

-5.91

Polar Surface Area

47.675

Acid Dissociation Constant (pKa)

11.52

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

2239-0624 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Human Proteases Annotated Library (2868 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 2239-0624 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2239-0624?
Check Price and Availability of 2239-0624, 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 2239-0624 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2239-0624
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2239-0624
  • 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 2239-0624 available by request