E920-0843 Screening compound: 3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-4,5,6,7-tetrahydro-1,2-benzoxazole

E920-0843 Screening compound: 3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-4,5,6,7-tetrahydro-1,2-benzoxazole
E920-0843 Screening compound: 3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-4,5,6,7-tetrahydro-1,2-benzoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound E920-0843
3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-4,5,6,7-tetrahydro-1,2-benzoxazole

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

E920-0843

Molecular Formula

C19H22ClN3O2 (C19 H22 ClN3 O2)

Compound Name

3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-4,5,6,7-tetrahydro-1,2-benzoxazole

IUPAC name

3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-4567-tetrahydro-12-benzoxazole

SMILES

Cc(ccc(Cl)c1)c1N(CC1)CCN1C(c1noc2c1CCCC2)=O

InChI

InChI=1S/C19H22ClN3O2/c1-13-6-7-14(20)12-16(13)22-8-10-23(11-9-22)19(24)18-15-4-2-3-5-17(15)25-21-18/h6-7,12H,2-5,8-11H2,1H3

InChI Key

AOIKJYCTRGYWQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09784506

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.86

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.905

Distribution Coefficient, logD

3.905

Water Solubility, LogSw

-4.20

Polar Surface Area

42.246

Acid Dissociation Constant (pKa)

20.81

Base Dissociation Constant (pKb)

3.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

E920-0843 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with E920-0843 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E920-0843?
Check Price and Availability of E920-0843, 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 E920-0843 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E920-0843
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E920-0843
  • 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 E920-0843 available by request