D465-0217 Screening compound: 2-[(1E)-2-(2-methoxyphenyl)ethenyl]-5-(piperazin-1-yl)-1,3-oxazole-4-carbonitrile

D465-0217 Screening compound: 2-[(1E)-2-(2-methoxyphenyl)ethenyl]-5-(piperazin-1-yl)-1,3-oxazole-4-carbonitrile
D465-0217 Screening compound: 2-[(1E)-2-(2-methoxyphenyl)ethenyl]-5-(piperazin-1-yl)-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D465-0217
2-[(1E)-2-(2-methoxyphenyl)ethenyl]-5-(piperazin-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

D465-0217

Molecular Formula

C17H18N4O2 (C17 H18 N4 O2)

Compound Name

2-[(1E)-2-(2-methoxyphenyl)ethenyl]-5-(piperazin-1-yl)-1,3-oxazole-4-carbonitrile

IUPAC name

2-[(1E)-2-(2-methoxyphenyl)ethenyl]-5-(piperazin-1-yl)-13-oxazole-4-carbonitrile

SMILES

COc1c(/C=C/c2nc(C#N)c(N3CCNCC3)o2)cccc1

InChI

InChI=1S/C17H18N4O2/c1-22-15-5-3-2-4-13(15)6-7-16-20-14(12-18)17(23-16)21-10-8-19-9-11-21/h2-7,19H,8-11H2,1H3

InChI Key

GODUGYRGUCAREH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11057895

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.403

Distribution Coefficient, logD

1.342

Water Solubility, LogSw

-2.55

Polar Surface Area

59.011

Acid Dissociation Constant (pKa)

26.81

Base Dissociation Constant (pKb)

8.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

D465-0217 in Drug Discovery

Included in Screening Libraries

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 D465-0217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D465-0217?
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What is the minimum amount of D465-0217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D465-0217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D465-0217
  • 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 D465-0217 available by request