C351-0114 Screening compound: 2-{1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}-4-[2-(methylsulfanyl)ethyl]-4,5-dihydro-1,3-oxazole

C351-0114 Screening compound: 2-{1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}-4-[2-(methylsulfanyl)ethyl]-4,5-dihydro-1,3-oxazole
C351-0114 Screening compound: 2-{1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}-4-[2-(methylsulfanyl)ethyl]-4,5-dihydro-1,3-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C351-0114
2-{1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}-4-[2-(methylsulfanyl)ethyl]-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

C351-0114

Molecular Formula

C17H19ClN2OS (C17 H19 ClN2 OS)

Compound Name

2-{1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}-4-[2-(methylsulfanyl)ethyl]-4,5-dihydro-1,3-oxazole

IUPAC name

2-{1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}-4-[2-(methylsulfanyl)ethyl]-45-dihydro-13-oxazole

SMILES

CSCCC1N=C(c2cccn2Cc(cc2)ccc2Cl)OC1

InChI

InChI=1S/C17H19ClN2OS/c1-22-10-8-15-12-21-17(19-15)16-3-2-9-20(16)11-13-4-6-14(18)7-5-13/h2-7,9,15H,8,10-12H2,1H3/t15-/m1/s1

InChI Key

FPHYYBXNCYZXMP-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD14750776

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.87

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

4.311

Distribution Coefficient, logD

4.311

Water Solubility, LogSw

-4.56

Polar Surface Area

20.521

Acid Dissociation Constant (pKa)

26.34

Base Dissociation Constant (pKb)

2.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

C351-0114 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C351-0114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C351-0114?
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What is the minimum amount of C351-0114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C351-0114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C351-0114
  • 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 C351-0114 available by request