D337-1547 Screening compound: ethyl 2-[5-(3,4-dimethylphenyl)-1,2-oxazole-3-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

D337-1547 Screening compound: ethyl 2-[5-(3,4-dimethylphenyl)-1,2-oxazole-3-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
D337-1547 Screening compound: ethyl 2-[5-(3,4-dimethylphenyl)-1,2-oxazole-3-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D337-1547
ethyl 2-[5-(3,4-dimethylphenyl)-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

D337-1547

Molecular Formula

C23H24N2O4S (C23 H24 N2 O4 S)

Compound Name

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

IUPAC name

ethyl 2-[5-(34-dimethylphenyl)-12-oxazole-3-amido]-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c2noc(-c3cc(C)c(C)cc3)c2)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C23H24N2O4S/c1-4-28-23(27)20-16-7-5-6-8-19(16)30-22(20)24-21(26)17-12-18(29-25-17)15-10-9-13(2)14(3)11-15/h9-12H,4-8H2,1-3H3,(H,24,26)

InChI Key

BSBGBBXOCVFJGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12915321

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.52

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

5.841

Distribution Coefficient, logD

3.541

Water Solubility, LogSw

-5.43

Polar Surface Area

65.334

Acid Dissociation Constant (pKa)

5.10

Base Dissociation Constant (pKb)

-6.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

References: we are preparing a list of scientific research reports with D337-1547 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D337-1547?
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What is the minimum amount of D337-1547 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D337-1547
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D337-1547
  • 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 D337-1547 available by request