D314-0490 Screening compound: 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-N-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide

D314-0490 Screening compound: 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-N-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
D314-0490 Screening compound: 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-N-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D314-0490
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-N-(2-fluorophenyl)-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

D314-0490

Molecular Formula

C24H21FN4O3S (C24 H21 FN4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(Cc(cc2)cc3c2OCO3)c(C)nn1-c1nc(C)c(C(Nc(cccc2)c2F)=O)s1

InChI

InChI=1S/C24H21FN4O3S/c1-13-17(10-16-8-9-20-21(11-16)32-12-31-20)15(3)29(28-13)24-26-14(2)22(33-24)23(30)27-19-7-5-4-6-18(19)25/h4-9,11H,10,12H2,1-3H3,(H,27,30)

InChI Key

GRWZQVHIGLITNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14818199

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.52

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

4.868

Distribution Coefficient, logD

4.853

Water Solubility, LogSw

-4.69

Polar Surface Area

64.291

Acid Dissociation Constant (pKa)

8.86

Base Dissociation Constant (pKb)

3.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

D314-0490 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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 D314-0490 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D314-0490
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D314-0490
  • 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 D314-0490 available by request