C351-0122 Screening compound: 4-butyl-2-{1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}-4,5-dihydro-1,3-oxazole

C351-0122 Screening compound: 4-butyl-2-{1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}-4,5-dihydro-1,3-oxazole
C351-0122 Screening compound: 4-butyl-2-{1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}-4,5-dihydro-1,3-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C351-0122
4-butyl-2-{1-[(3-methylphenyl)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

C351-0122

Molecular Formula

C19H24N2O (C19 H24 N2 O)

Compound Name

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

IUPAC name

4-butyl-2-{1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}-45-dihydro-13-oxazole

SMILES

CCCCC1N=C(c2cccn2Cc2cc(C)ccc2)OC1

InChI

InChI=1S/C19H24N2O/c1-3-4-9-17-14-22-19(20-17)18-10-6-11-21(18)13-16-8-5-7-15(2)12-16/h5-8,10-12,17H,3-4,9,13-14H2,1-2H3/t17-/m1/s1

InChI Key

ODNLEIGVEWTXPP-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD14750779

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.41

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.275

Distribution Coefficient, logD

5.275

Water Solubility, LogSw

-5.24

Polar Surface Area

20.521

Acid Dissociation Constant (pKa)

26.81

Base Dissociation Constant (pKb)

2.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

C351-0122 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C351-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C351-0122?
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What is the minimum amount of C351-0122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C351-0122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C351-0122
  • 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 C351-0122 available by request