C226-2942 Screening compound: ethyl 2-[5-(propan-2-yl)-1,2-oxazole-3-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

C226-2942 Screening compound: ethyl 2-[5-(propan-2-yl)-1,2-oxazole-3-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
C226-2942 Screening compound: ethyl 2-[5-(propan-2-yl)-1,2-oxazole-3-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-2942
ethyl 2-[5-(propan-2-yl)-1,2-oxazole-3-amido]-4,5,6,7-tetrahydro-1-benzothiophene-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

C226-2942

Molecular Formula

C18H22N2O4S (C18 H22 N2 O4 S)

Compound Name

ethyl 2-[5-(propan-2-yl)-1,2-oxazole-3-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 2-[5-(propan-2-yl)-12-oxazole-3-amido]-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c2noc(C(C)C)c2)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C18H22N2O4S/c1-4-23-18(22)15-11-7-5-6-8-14(11)25-17(15)19-16(21)12-9-13(10(2)3)24-20-12/h9-10H,4-8H2,1-3H3,(H,19,21)

InChI Key

IAYMZLCWIGIKOV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09782911

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.367

Distribution Coefficient, logD

1.675

Water Solubility, LogSw

-4.29

Polar Surface Area

65.605

Acid Dissociation Constant (pKa)

4.71

Base Dissociation Constant (pKb)

-5.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C226-2942 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C226-2942 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-2942?
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What is the minimum amount of C226-2942 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-2942
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-2942
  • 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 C226-2942 available by request