2276-0588 Screening compound: (2E)-N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-(furan-2-yl)prop-2-enamide

2276-0588 Screening compound: (2E)-N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-(furan-2-yl)prop-2-enamide
2276-0588 Screening compound: (2E)-N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-(furan-2-yl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2276-0588
(2E)-N-[4-chloro-3-(5-chloro-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

2276-0588

Molecular Formula

C20H12Cl2N2O3 (C20 H12 Cl2 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(/C=C/c1ccco1)Nc(cc1)cc(-c2nc(cc(cc3)Cl)c3o2)c1Cl

InChI

InChI=1S/C20H12Cl2N2O3/c21-12-3-7-18-17(10-12)24-20(27-18)15-11-13(4-6-16(15)22)23-19(25)8-5-14-2-1-9-26-14/h1-11H,(H,23,25)

InChI Key

NJTCPSJDQRCBOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01462427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.23

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

5.547

Distribution Coefficient, logD

5.547

Water Solubility, LogSw

-6.07

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

0.00

2276-0588 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

KRAS-Targeted Library (16000 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

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 2276-0588 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2276-0588?
Check Price and Availability of 2276-0588, 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 2276-0588 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2276-0588
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2276-0588
  • 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 2276-0588 available by request