C351-0157 Screening compound: 4-benzyl-2-{1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}-4,5-dihydro-1,3-oxazole

C351-0157 Screening compound: 4-benzyl-2-{1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}-4,5-dihydro-1,3-oxazole
C351-0157 Screening compound: 4-benzyl-2-{1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}-4,5-dihydro-1,3-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C351-0157
4-benzyl-2-{1-[(2-chlorophenyl)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

C351-0157

Molecular Formula

C21H19ClN2O (C21 H19 ClN2 O)

Compound Name

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

IUPAC name

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

SMILES

Clc1c(Cn2c(C3=NC(Cc4ccccc4)CO3)ccc2)cccc1

InChI

InChI=1S/C21H19ClN2O/c22-19-10-5-4-9-17(19)14-24-12-6-11-20(24)21-23-18(15-25-21)13-16-7-2-1-3-8-16/h1-12,18H,13-15H2/t18-/m1/s1

InChI Key

IPAHDLMEEKECOM-GOSISDBHSA-N

MDL Number (MFCD)

MFCD14750793

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.85

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.382

Distribution Coefficient, logD

5.382

Water Solubility, LogSw

-6.03

Polar Surface Area

20.249

Acid Dissociation Constant (pKa)

26.72

Base Dissociation Constant (pKb)

2.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

C351-0157 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C351-0157 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C351-0157?
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What is the minimum amount of C351-0157 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C351-0157
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C351-0157
  • 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 C351-0157 available by request