D314-0656 Screening compound: 2-{3,5-dimethyl-4-[(4-methylphenyl)methyl]-1H-pyrazol-1-yl}-N-(2-hydroxyethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide

D314-0656 Screening compound: 2-{3,5-dimethyl-4-[(4-methylphenyl)methyl]-1H-pyrazol-1-yl}-N-(2-hydroxyethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
D314-0656 Screening compound: 2-{3,5-dimethyl-4-[(4-methylphenyl)methyl]-1H-pyrazol-1-yl}-N-(2-hydroxyethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D314-0656
2-{3,5-dimethyl-4-[(4-methylphenyl)methyl]-1H-pyrazol-1-yl}-N-(2-hydroxyethyl)-N,4-dimethyl-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

D314-0656

Molecular Formula

C21H26N4O2S (C21 H26 N4 O2 S)

Compound Name

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

IUPAC name

2-{35-dimethyl-4-[(4-methylphenyl)methyl]-1H-pyrazol-1-yl}-N-(2-hydroxyethyl)-N4-dimethyl-13-thiazole-5-carboxamide

SMILES

Cc1c(Cc2ccc(C)cc2)c(C)nn1-c1nc(C)c(C(N(C)CCO)=O)s1

InChI

InChI=1S/C21H26N4O2S/c1-13-6-8-17(9-7-13)12-18-14(2)23-25(16(18)4)21-22-15(3)19(28-21)20(27)24(5)10-11-26/h6-9,26H,10-12H2,1-5H3

InChI Key

ZRZNCEXQLUKJBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14818237

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

398.53

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

3.125

Distribution Coefficient, logD

3.021

Water Solubility, LogSw

-2.94

Polar Surface Area

57.838

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

6.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

D314-0656 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D314-0656 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D314-0656?
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What is the minimum amount of D314-0656 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D314-0656
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D314-0656
  • 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 D314-0656 available by request