D314-0107 Screening compound: N-(3-acetylphenyl)-2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide

D314-0107 Screening compound: N-(3-acetylphenyl)-2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
D314-0107 Screening compound: N-(3-acetylphenyl)-2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D314-0107
N-(3-acetylphenyl)-2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-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

D314-0107

Molecular Formula

C18H17ClN4O2S (C18 H17 ClN4 O2 S)

Compound Name

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

IUPAC name

N-(3-acetylphenyl)-2-(4-chloro-35-dimethyl-1H-pyrazol-1-yl)-4-methyl-13-thiazole-5-carboxamide

SMILES

CC(c1cccc(NC(c2c(C)nc(-n3nc(C)c(Cl)c3C)s2)=O)c1)=O

InChI

InChI=1S/C18H17ClN4O2S/c1-9-15(19)11(3)23(22-9)18-20-10(2)16(26-18)17(25)21-14-7-5-6-13(8-14)12(4)24/h5-8H,1-4H3,(H,21,25)

InChI Key

JFJIRVZFVHNOBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14818000

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.88

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.458

Distribution Coefficient, logD

3.447

Water Solubility, LogSw

-4.34

Polar Surface Area

61.972

Acid Dissociation Constant (pKa)

9.03

Base Dissociation Constant (pKb)

2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

D314-0107 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 D314-0107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D314-0107?
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What is the minimum amount of D314-0107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D314-0107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D314-0107
  • 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 D314-0107 available by request