C351-0268 Screening compound: 2-{1-[(2-fluorophenyl)methyl]-1H-pyrrol-2-yl}-4-({[(4-fluorophenyl)methyl]sulfanyl}methyl)-4,5-dihydro-1,3-oxazole

C351-0268 Screening compound: 2-{1-[(2-fluorophenyl)methyl]-1H-pyrrol-2-yl}-4-({[(4-fluorophenyl)methyl]sulfanyl}methyl)-4,5-dihydro-1,3-oxazole
C351-0268 Screening compound: 2-{1-[(2-fluorophenyl)methyl]-1H-pyrrol-2-yl}-4-({[(4-fluorophenyl)methyl]sulfanyl}methyl)-4,5-dihydro-1,3-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C351-0268
2-{1-[(2-fluorophenyl)methyl]-1H-pyrrol-2-yl}-4-({[(4-fluorophenyl)methyl]sulfanyl}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

C351-0268

Molecular Formula

C22H20F2N2OS (C22 H20 F2 N2 OS)

Compound Name

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

IUPAC name

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

SMILES

Fc1ccc(CSCC2N=C(c3cccn3Cc(cccc3)c3F)OC2)cc1

InChI

InChI=1S/C22H20F2N2OS/c23-18-9-7-16(8-10-18)14-28-15-19-13-27-22(25-19)21-6-3-11-26(21)12-17-4-1-2-5-20(17)24/h1-11,19H,12-15H2/t19-/m1/s1

InChI Key

SVVFCPJSBKEQNQ-LJQANCHMSA-N

MDL Number (MFCD)

MFCD14750845

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.48

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

5.253

Distribution Coefficient, logD

5.253

Water Solubility, LogSw

-5.52

Polar Surface Area

20.249

Acid Dissociation Constant (pKa)

26.81

Base Dissociation Constant (pKb)

2.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

C351-0268 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 C351-0268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C351-0268?
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What is the minimum amount of C351-0268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C351-0268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C351-0268
  • 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 C351-0268 available by request