D301-0306 Screening compound: 5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-{5-[(2-methylphenoxy)methyl]furan-2-yl}-1,3-oxazole-4-carbonitrile

D301-0306 Screening compound: 5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-{5-[(2-methylphenoxy)methyl]furan-2-yl}-1,3-oxazole-4-carbonitrile
D301-0306 Screening compound: 5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-{5-[(2-methylphenoxy)methyl]furan-2-yl}-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D301-0306
5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-{5-[(2-methylphenoxy)methyl]furan-2-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

D301-0306

Molecular Formula

C24H19N3O5 (C24 H19 N3 O5)

Compound Name

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

IUPAC name

5-{[(2H-13-benzodioxol-5-yl)methyl]amino}-2-{5-[(2-methylphenoxy)methyl]furan-2-yl}-13-oxazole-4-carbonitrile

SMILES

Cc(cccc1)c1OCc1ccc(-c2nc(C#N)c(NCc(cc3)cc4c3OCO4)o2)o1

InChI

InChI=1S/C24H19N3O5/c1-15-4-2-3-5-19(15)28-13-17-7-9-21(31-17)24-27-18(11-25)23(32-24)26-12-16-6-8-20-22(10-16)30-14-29-20/h2-10,26H,12-14H2,1H3

InChI Key

UTWTXJMCJFFQHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09250471

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.686

Distribution Coefficient, logD

4.686

Water Solubility, LogSw

-4.54

Polar Surface Area

78.549

Acid Dissociation Constant (pKa)

16.79

Base Dissociation Constant (pKb)

-5.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D301-0306 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D301-0306 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D301-0306?
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What is the minimum amount of D301-0306 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D301-0306
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D301-0306
  • 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 D301-0306 available by request