C226-2492 Screening compound: ethyl 2-[5-(2-hydroxyphenyl)-1,2-oxazole-3-amido]-4,5-dimethylthiophene-3-carboxylate

C226-2492 Screening compound: ethyl 2-[5-(2-hydroxyphenyl)-1,2-oxazole-3-amido]-4,5-dimethylthiophene-3-carboxylate
C226-2492 Screening compound: ethyl 2-[5-(2-hydroxyphenyl)-1,2-oxazole-3-amido]-4,5-dimethylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-2492
ethyl 2-[5-(2-hydroxyphenyl)-1,2-oxazole-3-amido]-4,5-dimethylthiophene-3-carboxylate

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

C226-2492

Molecular Formula

C19H18N2O5S (C19 H18 N2 O5 S)

Compound Name

ethyl 2-[5-(2-hydroxyphenyl)-1,2-oxazole-3-amido]-4,5-dimethylthiophene-3-carboxylate

IUPAC name

ethyl 2-[5-(2-hydroxyphenyl)-12-oxazole-3-amido]-45-dimethylthiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c2noc(-c(cccc3)c3O)c2)=O)sc(C)c1C)=O

InChI

InChI=1S/C19H18N2O5S/c1-4-25-19(24)16-10(2)11(3)27-18(16)20-17(23)13-9-15(26-21-13)12-7-5-6-8-14(12)22/h5-9,22H,4H2,1-3H3,(H,20,23)

InChI Key

PXWJZLXSHLYVPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09782749

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.609

Distribution Coefficient, logD

2.268

Water Solubility, LogSw

-4.05

Polar Surface Area

81.961

Acid Dissociation Constant (pKa)

5.06

Base Dissociation Constant (pKb)

-6.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

C226-2492 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics
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 C226-2492 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-2492?
Check Price and Availability of C226-2492, 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 C226-2492 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-2492
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-2492
  • 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 C226-2492 available by request