D465-0253 Screening compound: 2-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-(piperazin-1-yl)-1,3-oxazole-4-carbonitrile

D465-0253 Screening compound: 2-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-(piperazin-1-yl)-1,3-oxazole-4-carbonitrile
D465-0253 Screening compound: 2-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-(piperazin-1-yl)-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D465-0253
2-[(1E)-2-(3,4-dimethoxyphenyl)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

D465-0253

Molecular Formula

C18H20N4O3 (C18 H20 N4 O3)

Compound Name

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

IUPAC name

2-[(1E)-2-(34-dimethoxyphenyl)ethenyl]-5-(piperazin-1-yl)-13-oxazole-4-carbonitrile

SMILES

COc(ccc(/C=C/c1nc(C#N)c(N2CCNCC2)o1)c1)c1OC

InChI

InChI=1S/C18H20N4O3/c1-23-15-5-3-13(11-16(15)24-2)4-6-17-21-14(12-19)18(25-17)22-9-7-20-8-10-22/h3-6,11,20H,7-10H2,1-2H3

InChI Key

BVLRKWQFCARAMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11057893

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.993

Distribution Coefficient, logD

0.933

Water Solubility, LogSw

-2.42

Polar Surface Area

66.642

Acid Dissociation Constant (pKa)

26.81

Base Dissociation Constant (pKb)

8.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D465-0253 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D465-0253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D465-0253?
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What is the minimum amount of D465-0253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D465-0253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D465-0253
  • 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 D465-0253 available by request