C351-0019 Screening compound: 4-[(benzylsulfanyl)methyl]-2-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-4,5-dihydro-1,3-oxazole

C351-0019 Screening compound: 4-[(benzylsulfanyl)methyl]-2-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-4,5-dihydro-1,3-oxazole
C351-0019 Screening compound: 4-[(benzylsulfanyl)methyl]-2-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-4,5-dihydro-1,3-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C351-0019
4-[(benzylsulfanyl)methyl]-2-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-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

C351-0019

Molecular Formula

C22H21FN2OS (C22 H21 FN2 OS)

Compound Name

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

IUPAC name

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

SMILES

Fc1ccc(Cn2c(C3=NC(CSCc4ccccc4)CO3)ccc2)cc1

InChI

InChI=1S/C22H21FN2OS/c23-19-10-8-17(9-11-19)13-25-12-4-7-21(25)22-24-20(14-26-22)16-27-15-18-5-2-1-3-6-18/h1-12,20H,13-16H2/t20-/m1/s1

InChI Key

CUBXRCKXBBZWII-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD14750733

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.948

Distribution Coefficient, logD

4.948

Water Solubility, LogSw

-4.93

Polar Surface Area

20.249

Acid Dissociation Constant (pKa)

26.34

Base Dissociation Constant (pKb)

2.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

C351-0019 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C351-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C351-0019?
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What is the minimum amount of C351-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C351-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C351-0019
  • 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 C351-0019 available by request