D465-0016 Screening compound: 5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[(1E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile

D465-0016 Screening compound: 5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[(1E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile
D465-0016 Screening compound: 5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[(1E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D465-0016
5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[(1E)-2-phenylethenyl]-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

D465-0016

Molecular Formula

C21H18N4O3 (C21 H18 N4 O3)

Compound Name

5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[(1E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile

IUPAC name

5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[(1E)-2-phenylethenyl]-13-oxazole-4-carbonitrile

SMILES

N#Cc1c(N(CC2)CCN2C(c2ccco2)=O)oc(/C=C/c2ccccc2)n1

InChI

InChI=1S/C21H18N4O3/c22-15-17-21(28-19(23-17)9-8-16-5-2-1-3-6-16)25-12-10-24(11-13-25)20(26)18-7-4-14-27-18/h1-9,14H,10-13H2

InChI Key

YRCFHYWTSXUWAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09250247

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.4

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

3.207

Distribution Coefficient, logD

3.207

Water Solubility, LogSw

-3.13

Polar Surface Area

64.455

Acid Dissociation Constant (pKa)

27.44

Base Dissociation Constant (pKb)

-2.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

D465-0016 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D465-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D465-0016?
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What is the minimum amount of D465-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D465-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D465-0016
  • 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 D465-0016 available by request