C226-0550 Screening compound: ethyl 2-[5-(4-bromophenyl)-1,2-oxazole-3-amido]-4-phenylthiophene-3-carboxylate

C226-0550 Screening compound: ethyl 2-[5-(4-bromophenyl)-1,2-oxazole-3-amido]-4-phenylthiophene-3-carboxylate
C226-0550 Screening compound: ethyl 2-[5-(4-bromophenyl)-1,2-oxazole-3-amido]-4-phenylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-0550
ethyl 2-[5-(4-bromophenyl)-1,2-oxazole-3-amido]-4-phenylthiophene-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

C226-0550

Molecular Formula

C23H17BrN2O4S (C23 H17 BrN2 O4 S)

Compound Name

ethyl 2-[5-(4-bromophenyl)-1,2-oxazole-3-amido]-4-phenylthiophene-3-carboxylate

IUPAC name

ethyl 2-[5-(4-bromophenyl)-12-oxazole-3-amido]-4-phenylthiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c2noc(-c(cc3)ccc3Br)c2)=O)scc1-c1ccccc1)=O

InChI

InChI=1S/C23H17BrN2O4S/c1-2-29-23(28)20-17(14-6-4-3-5-7-14)13-31-22(20)25-21(27)18-12-19(30-26-18)15-8-10-16(24)11-9-15/h3-13H,2H2,1H3,(H,25,27)

InChI Key

JSCQDZBVBRTVNL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09781836

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.206

Distribution Coefficient, logD

6.186

Water Solubility, LogSw

-5.56

Polar Surface Area

65.141

Acid Dissociation Constant (pKa)

8.72

Base Dissociation Constant (pKb)

-7.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

C226-0550 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C226-0550 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-0550?
Check Price and Availability of C226-0550, 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 C226-0550 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-0550
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-0550
  • 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 C226-0550 available by request