D354-0111 Screening compound: 5-(3-fluoro-4-methylphenyl)-N-{3-[(2-methoxyethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-1,2-oxazole-3-carboxamide

D354-0111 Screening compound: 5-(3-fluoro-4-methylphenyl)-N-{3-[(2-methoxyethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-1,2-oxazole-3-carboxamide
D354-0111 Screening compound: 5-(3-fluoro-4-methylphenyl)-N-{3-[(2-methoxyethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D354-0111
5-(3-fluoro-4-methylphenyl)-N-{3-[(2-methoxyethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-1,2-oxazole-3-carboxamide

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

D354-0111

Molecular Formula

C23H24FN3O4S (C23 H24 FN3 O4 S)

Compound Name

5-(3-fluoro-4-methylphenyl)-N-{3-[(2-methoxyethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-1,2-oxazole-3-carboxamide

IUPAC name

5-(3-fluoro-4-methylphenyl)-N-{3-[(2-methoxyethyl)carbamoyl]-4567-tetrahydro-1-benzothiophen-2-yl}-12-oxazole-3-carboxamide

SMILES

Cc(ccc(-c1cc(C(Nc2c(C(NCCOC)=O)c(CCCC3)c3s2)=O)no1)c1)c1F

InChI

InChI=1S/C23H24FN3O4S/c1-13-7-8-14(11-16(13)24)18-12-17(27-31-18)21(28)26-23-20(22(29)25-9-10-30-2)15-5-3-4-6-19(15)32-23/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,25,29)(H,26,28)

InChI Key

OASREQCQORZLOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08544864

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.459

Distribution Coefficient, logD

3.625

Water Solubility, LogSw

-4.47

Polar Surface Area

77.449

Acid Dissociation Constant (pKa)

6.63

Base Dissociation Constant (pKb)

-2.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

D354-0111 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 D354-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D354-0111?
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What is the minimum amount of D354-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D354-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D354-0111
  • 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 D354-0111 available by request