D314-0029 Screening compound: N-benzyl-2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide

D314-0029 Screening compound: N-benzyl-2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
D314-0029 Screening compound: N-benzyl-2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D314-0029
N-benzyl-2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(2-hydroxyethyl)-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

D314-0029

Molecular Formula

C19H22N4O2S (C19 H22 N4 O2 S)

Compound Name

N-benzyl-2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide

IUPAC name

N-benzyl-2-(35-dimethyl-1H-pyrazol-1-yl)-N-(2-hydroxyethyl)-4-methyl-13-thiazole-5-carboxamide

SMILES

Cc1cc(C)nn1-c1nc(C)c(C(N(CCO)Cc2ccccc2)=O)s1

InChI

InChI=1S/C19H22N4O2S/c1-13-11-14(2)23(21-13)19-20-15(3)17(26-19)18(25)22(9-10-24)12-16-7-5-4-6-8-16/h4-8,11,24H,9-10,12H2,1-3H3

InChI Key

DNRFIZFESZDSSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14817947

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

370.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.414

Distribution Coefficient, logD

2.405

Water Solubility, LogSw

-2.68

Polar Surface Area

57.352

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

5.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

D314-0029 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D314-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D314-0029?
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What is the minimum amount of D314-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D314-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D314-0029
  • 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 D314-0029 available by request