E920-0552 Screening compound: N-(5-chloro-2-hydroxyphenyl)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

E920-0552 Screening compound: N-(5-chloro-2-hydroxyphenyl)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
E920-0552 Screening compound: N-(5-chloro-2-hydroxyphenyl)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E920-0552
N-(5-chloro-2-hydroxyphenyl)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

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

E920-0552

Molecular Formula

C15H15ClN2O3 (C15 H15 ClN2 O3)

Compound Name

N-(5-chloro-2-hydroxyphenyl)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

IUPAC name

N-(5-chloro-2-hydroxyphenyl)-5-methyl-4567-tetrahydro-12-benzoxazole-3-carboxamide

SMILES

CC(CC1)Cc2c1onc2C(Nc(cc(cc1)Cl)c1O)=O

InChI

InChI=1S/C15H15ClN2O3/c1-8-2-5-13-10(6-8)14(18-21-13)15(20)17-11-7-9(16)3-4-12(11)19/h3-4,7-8,19H,2,5-6H2,1H3,(H,17,20)/t8-/m1/s1

InChI Key

NSIHEBVZGAJPDN-MRVPVSSYSA-N

MDL Number (MFCD)

MFCD14928230

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.75

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.632

Distribution Coefficient, logD

3.616

Water Solubility, LogSw

-3.78

Polar Surface Area

61.580

Acid Dissociation Constant (pKa)

8.85

Base Dissociation Constant (pKb)

-2.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

E920-0552 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E920-0552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E920-0552?
Check Price and Availability of E920-0552, 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 E920-0552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E920-0552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E920-0552
  • 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 E920-0552 available by request