C226-0666 Screening compound: 2,4-diethyl 5-[5-(4-hydroxyphenyl)-1,2-oxazole-3-amido]-3-methylthiophene-2,4-dicarboxylate

C226-0666 Screening compound: 2,4-diethyl 5-[5-(4-hydroxyphenyl)-1,2-oxazole-3-amido]-3-methylthiophene-2,4-dicarboxylate
C226-0666 Screening compound: 2,4-diethyl 5-[5-(4-hydroxyphenyl)-1,2-oxazole-3-amido]-3-methylthiophene-2,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-0666
2,4-diethyl 5-[5-(4-hydroxyphenyl)-1,2-oxazole-3-amido]-3-methylthiophene-2,4-dicarboxylate

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

C226-0666

Molecular Formula

C21H20N2O7S (C21 H20 N2 O7 S)

Compound Name

2,4-diethyl 5-[5-(4-hydroxyphenyl)-1,2-oxazole-3-amido]-3-methylthiophene-2,4-dicarboxylate

IUPAC name

24-diethyl 5-[5-(4-hydroxyphenyl)-12-oxazole-3-amido]-3-methylthiophene-24-dicarboxylate

SMILES

CCOC(c1c(NC(c2noc(-c(cc3)ccc3O)c2)=O)sc(C(OCC)=O)c1C)=O

InChI

InChI=1S/C21H20N2O7S/c1-4-28-20(26)16-11(3)17(21(27)29-5-2)31-19(16)22-18(25)14-10-15(30-23-14)12-6-8-13(24)9-7-12/h6-10,24H,4-5H2,1-3H3,(H,22,25)

InChI Key

RGVPJOOGKNAYQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14732966

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.47

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.799

Distribution Coefficient, logD

1.676

Water Solubility, LogSw

-4.16

Polar Surface Area

103.784

Acid Dissociation Constant (pKa)

5.28

Base Dissociation Constant (pKb)

-7.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

C226-0666 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 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
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with C226-0666 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-0666?
Check Price and Availability of C226-0666, 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 C226-0666 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-0666
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-0666
  • 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 C226-0666 available by request