C625-0208 Screening compound: ethyl 2-(4-chloro-3-methyl-1,2-oxazole-5-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

C625-0208 Screening compound: ethyl 2-(4-chloro-3-methyl-1,2-oxazole-5-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
C625-0208 Screening compound: ethyl 2-(4-chloro-3-methyl-1,2-oxazole-5-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C625-0208
ethyl 2-(4-chloro-3-methyl-1,2-oxazole-5-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

C625-0208

Molecular Formula

C16H17ClN2O4S (C16 H17 ClN2 O4 S)

Compound Name

ethyl 2-(4-chloro-3-methyl-1,2-oxazole-5-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 2-(4-chloro-3-methyl-12-oxazole-5-amido)-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c(onc2C)c2Cl)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C16H17ClN2O4S/c1-3-22-16(21)11-9-6-4-5-7-10(9)24-15(11)18-14(20)13-12(17)8(2)19-23-13/h3-7H2,1-2H3,(H,18,20)

InChI Key

LFUFHTBIPWMMFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08106134

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.84

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.871

Distribution Coefficient, logD

-0.739

Water Solubility, LogSw

-4.92

Polar Surface Area

66.415

Acid Dissociation Constant (pKa)

2.79

Base Dissociation Constant (pKb)

-5.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

C625-0208 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C625-0208 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C625-0208?
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What is the minimum amount of C625-0208 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C625-0208
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C625-0208
  • 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 C625-0208 available by request