D314-0508 Screening compound: 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-N-(2,3-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide

D314-0508 Screening compound: 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-N-(2,3-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
D314-0508 Screening compound: 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-N-(2,3-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D314-0508
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-N-(2,3-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide

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

D314-0508

Molecular Formula

C26H26N4O3S (C26 H26 N4 O3 S)

Compound Name

2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-N-(2,3-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide

IUPAC name

2-{4-[(2H-13-benzodioxol-5-yl)methyl]-35-dimethyl-1H-pyrazol-1-yl}-N-(23-dimethylphenyl)-4-methyl-13-thiazole-5-carboxamide

SMILES

Cc1c(Cc(cc2)cc3c2OCO3)c(C)nn1-c1nc(C)c(C(Nc2c(C)c(C)ccc2)=O)s1

InChI

InChI=1S/C26H26N4O3S/c1-14-7-6-8-21(15(14)2)28-25(31)24-17(4)27-26(34-24)30-18(5)20(16(3)29-30)11-19-9-10-22-23(12-19)33-13-32-22/h6-10,12H,11,13H2,1-5H3,(H,28,31)

InChI Key

DNKXAPUCNCACQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14818211

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.58

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

5.718

Distribution Coefficient, logD

5.718

Water Solubility, LogSw

-5.44

Polar Surface Area

64.291

Acid Dissociation Constant (pKa)

10.69

Base Dissociation Constant (pKb)

3.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

D314-0508 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-infective Library (19449 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D314-0508 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D314-0508?
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What is the minimum amount of D314-0508 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D314-0508
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D314-0508
  • 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 D314-0508 available by request