D465-0448 Screening compound: 2-[(1E)-2-(thiophen-2-yl)ethenyl]-5-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile

D465-0448 Screening compound: 2-[(1E)-2-(thiophen-2-yl)ethenyl]-5-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
D465-0448 Screening compound: 2-[(1E)-2-(thiophen-2-yl)ethenyl]-5-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D465-0448
2-[(1E)-2-(thiophen-2-yl)ethenyl]-5-[4-(thiophene-2-carbonyl)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

D465-0448

Molecular Formula

C19H16N4O2S2 (C19 H16 N4 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

N#Cc1c(N(CC2)CCN2C(c2cccs2)=O)oc(/C=C/c2cccs2)n1

InChI

InChI=1S/C19H16N4O2S2/c20-13-15-19(25-17(21-15)6-5-14-3-1-11-26-14)23-9-7-22(8-10-23)18(24)16-4-2-12-27-16/h1-6,11-12H,7-10H2

InChI Key

ZKGBYBQAXNCTTA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09250345

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.386

Distribution Coefficient, logD

3.386

Water Solubility, LogSw

-3.54

Polar Surface Area

57.913

Acid Dissociation Constant (pKa)

27.44

Base Dissociation Constant (pKb)

-2.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

D465-0448 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D465-0448 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D465-0448?
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What is the minimum amount of D465-0448 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D465-0448
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D465-0448
  • 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 D465-0448 available by request