C226-0553 Screening compound: ethyl 5-acetyl-2-[5-(4-bromophenyl)-1,2-oxazole-3-amido]-4-methylthiophene-3-carboxylate

C226-0553 Screening compound: ethyl 5-acetyl-2-[5-(4-bromophenyl)-1,2-oxazole-3-amido]-4-methylthiophene-3-carboxylate
C226-0553 Screening compound: ethyl 5-acetyl-2-[5-(4-bromophenyl)-1,2-oxazole-3-amido]-4-methylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-0553
ethyl 5-acetyl-2-[5-(4-bromophenyl)-1,2-oxazole-3-amido]-4-methylthiophene-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

C226-0553

Molecular Formula

C20H17BrN2O5S (C20 H17 BrN2 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(NC(c2noc(-c(cc3)ccc3Br)c2)=O)sc(C(C)=O)c1C)=O

InChI

InChI=1S/C20H17BrN2O5S/c1-4-27-20(26)16-10(2)17(11(3)24)29-19(16)22-18(25)14-9-15(28-23-14)12-5-7-13(21)8-6-12/h5-9H,4H2,1-3H3,(H,22,25)

InChI Key

YZMMSUYRDBGNKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09781838

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.34

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.649

Distribution Coefficient, logD

1.799

Water Solubility, LogSw

-4.51

Polar Surface Area

79.240

Acid Dissociation Constant (pKa)

4.55

Base Dissociation Constant (pKb)

-7.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C226-0553 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

Selective Target Activity Profiling Library (14702 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 C226-0553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-0553?
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What is the minimum amount of C226-0553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-0553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-0553
  • 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 C226-0553 available by request