D301-0298 Screening compound: 2-{5-[(2-methylphenoxy)methyl]furan-2-yl}-5-(4-methylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile

D301-0298 Screening compound: 2-{5-[(2-methylphenoxy)methyl]furan-2-yl}-5-(4-methylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile
D301-0298 Screening compound: 2-{5-[(2-methylphenoxy)methyl]furan-2-yl}-5-(4-methylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D301-0298
2-{5-[(2-methylphenoxy)methyl]furan-2-yl}-5-(4-methylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile

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

D301-0298

Molecular Formula

C21H22N4O3 (C21 H22 N4 O3)

Compound Name

2-{5-[(2-methylphenoxy)methyl]furan-2-yl}-5-(4-methylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile

IUPAC name

2-{5-[(2-methylphenoxy)methyl]furan-2-yl}-5-(4-methylpiperazin-1-yl)-13-oxazole-4-carbonitrile

SMILES

Cc(cccc1)c1OCc1ccc(-c2nc(C#N)c(N3CCN(C)CC3)o2)o1

InChI

InChI=1S/C21H22N4O3/c1-15-5-3-4-6-18(15)26-14-16-7-8-19(27-16)20-23-17(13-22)21(28-20)25-11-9-24(2)10-12-25/h3-8H,9-12,14H2,1-2H3

InChI Key

SHPOFOOMGJBMSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14817402

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.582

Distribution Coefficient, logD

3.202

Water Solubility, LogSw

-3.62

Polar Surface Area

58.387

Acid Dissociation Constant (pKa)

26.94

Base Dissociation Constant (pKb)

7.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D301-0298 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D301-0298 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D301-0298?
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What is the minimum amount of D301-0298 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D301-0298
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D301-0298
  • 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 D301-0298 available by request