D354-0134 Screening compound: ethyl 2-[5-(3-fluoro-4-methylphenyl)-1,2-oxazole-3-amido]-4,5-dimethylthiophene-3-carboxylate

D354-0134 Screening compound: ethyl 2-[5-(3-fluoro-4-methylphenyl)-1,2-oxazole-3-amido]-4,5-dimethylthiophene-3-carboxylate
D354-0134 Screening compound: ethyl 2-[5-(3-fluoro-4-methylphenyl)-1,2-oxazole-3-amido]-4,5-dimethylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D354-0134
ethyl 2-[5-(3-fluoro-4-methylphenyl)-1,2-oxazole-3-amido]-4,5-dimethylthiophene-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

D354-0134

Molecular Formula

C20H19FN2O4S (C20 H19 FN2 O4 S)

Compound Name

ethyl 2-[5-(3-fluoro-4-methylphenyl)-1,2-oxazole-3-amido]-4,5-dimethylthiophene-3-carboxylate

IUPAC name

ethyl 2-[5-(3-fluoro-4-methylphenyl)-12-oxazole-3-amido]-45-dimethylthiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c2noc(-c3cc(F)c(C)cc3)c2)=O)sc(C)c1C)=O

InChI

InChI=1S/C20H19FN2O4S/c1-5-26-20(25)17-11(3)12(4)28-19(17)22-18(24)15-9-16(27-23-15)13-7-6-10(2)14(21)8-13/h6-9H,5H2,1-4H3,(H,22,24)

InChI Key

TYTZYAAPEUSXTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08547004

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.45

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

5.067

Distribution Coefficient, logD

2.726

Water Solubility, LogSw

-4.81

Polar Surface Area

65.413

Acid Dissociation Constant (pKa)

5.06

Base Dissociation Constant (pKb)

-7.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D354-0134 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Kinases Inhibitors Library (36801 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 D354-0134 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D354-0134?
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What is the minimum amount of D354-0134 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D354-0134
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D354-0134
  • 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 D354-0134 available by request