C351-0142 Screening compound: 2-{1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-4-[(ethylsulfanyl)methyl]-4,5-dihydro-1,3-oxazole

C351-0142 Screening compound: 2-{1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-4-[(ethylsulfanyl)methyl]-4,5-dihydro-1,3-oxazole
C351-0142 Screening compound: 2-{1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-4-[(ethylsulfanyl)methyl]-4,5-dihydro-1,3-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C351-0142
2-{1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-4-[(ethylsulfanyl)methyl]-4,5-dihydro-1,3-oxazole

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

C351-0142

Molecular Formula

C17H18ClFN2OS (C17 H18 ClFN2 OS)

Compound Name

2-{1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-4-[(ethylsulfanyl)methyl]-4,5-dihydro-1,3-oxazole

IUPAC name

2-{1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-4-[(ethylsulfanyl)methyl]-45-dihydro-13-oxazole

SMILES

CCSCC1N=C(c2cccn2Cc(ccc(F)c2)c2Cl)OC1

InChI

InChI=1S/C17H18ClFN2OS/c1-2-23-11-14-10-22-17(20-14)16-4-3-7-21(16)9-12-5-6-13(19)8-15(12)18/h3-8,14H,2,9-11H2,1H3/t14-/m0/s1

InChI Key

ZAQKNSFCRGWTBH-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14750789

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.86

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.840

Distribution Coefficient, logD

4.840

Water Solubility, LogSw

-4.96

Polar Surface Area

20.521

Acid Dissociation Constant (pKa)

26.34

Base Dissociation Constant (pKb)

3.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

C351-0142 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C351-0142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C351-0142?
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What is the minimum amount of C351-0142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C351-0142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C351-0142
  • 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 C351-0142 available by request