D337-0124 Screening compound: ethyl 2-(5-phenyl-1,2-oxazole-3-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

D337-0124 Screening compound: ethyl 2-(5-phenyl-1,2-oxazole-3-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
D337-0124 Screening compound: ethyl 2-(5-phenyl-1,2-oxazole-3-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D337-0124
ethyl 2-(5-phenyl-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

D337-0124

Molecular Formula

C21H20N2O4S (C21 H20 N2 O4 S)

Compound Name

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

IUPAC name

ethyl 2-(5-phenyl-12-oxazole-3-amido)-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c2noc(-c3ccccc3)c2)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C21H20N2O4S/c1-2-26-21(25)18-14-10-6-7-11-17(14)28-20(18)22-19(24)15-12-16(27-23-15)13-8-4-3-5-9-13/h3-5,8-9,12H,2,6-7,10-11H2,1H3,(H,22,24)

InChI Key

QYMOKPZQMHVNMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05995910

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.47

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

4.845

Distribution Coefficient, logD

2.545

Water Solubility, LogSw

-4.64

Polar Surface Area

65.334

Acid Dissociation Constant (pKa)

5.10

Base Dissociation Constant (pKb)

-7.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

D337-0124 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D337-0124 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D337-0124?
Check Price and Availability of D337-0124, 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 D337-0124 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D337-0124
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D337-0124
  • 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 D337-0124 available by request