D314-0108 Screening compound: 2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide

D314-0108 Screening compound: 2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
D314-0108 Screening compound: 2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D314-0108
2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-4-methyl-N-(3-methylphenyl)-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

D314-0108

Molecular Formula

C17H17ClN4OS (C17 H17 ClN4 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc(n(-c1nc(C)c(C(Nc2cc(C)ccc2)=O)s1)nc1C)c1Cl

InChI

InChI=1S/C17H17ClN4OS/c1-9-6-5-7-13(8-9)20-16(23)15-11(3)19-17(24-15)22-12(4)14(18)10(2)21-22/h5-8H,1-4H3,(H,20,23)

InChI Key

QRGSNJDQINSYQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14818001

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.87

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.077

Distribution Coefficient, logD

4.076

Water Solubility, LogSw

-4.58

Polar Surface Area

48.145

Acid Dissociation Constant (pKa)

10.93

Base Dissociation Constant (pKb)

2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

D314-0108 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D314-0108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D314-0108?
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What is the minimum amount of D314-0108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D314-0108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D314-0108
  • 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 D314-0108 available by request