C351-0310 Screening compound: 2-{1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}-4-({[(4-fluorophenyl)methyl]sulfanyl}methyl)-4,5-dihydro-1,3-oxazole

C351-0310 Screening compound: 2-{1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}-4-({[(4-fluorophenyl)methyl]sulfanyl}methyl)-4,5-dihydro-1,3-oxazole
C351-0310 Screening compound: 2-{1-[(2-chlorophenyl)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 C351-0310
2-{1-[(2-chlorophenyl)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

C351-0310

Molecular Formula

C22H20ClFN2OS (C22 H20 ClFN2 OS)

Compound Name

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

IUPAC name

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

SMILES

Fc1ccc(CSCC2N=C(c3cccn3Cc(cccc3)c3Cl)OC2)cc1

InChI

InChI=1S/C22H20ClFN2OS/c23-20-5-2-1-4-17(20)12-26-11-3-6-21(26)22-25-19(13-27-22)15-28-14-16-7-9-18(24)10-8-16/h1-11,19H,12-15H2/t19-/m0/s1

InChI Key

FMYSSFJMIFYKRE-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14750875

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.93

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

5.597

Distribution Coefficient, logD

5.597

Water Solubility, LogSw

-6.02

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

C351-0310 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C351-0310 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C351-0310?
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What is the minimum amount of C351-0310 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C351-0310
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C351-0310
  • 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 C351-0310 available by request