D314-0024 Screening compound: 1-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazole-5-carbonyl]-4-(2-methoxyphenyl)piperazine

D314-0024 Screening compound: 1-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazole-5-carbonyl]-4-(2-methoxyphenyl)piperazine
D314-0024 Screening compound: 1-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazole-5-carbonyl]-4-(2-methoxyphenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D314-0024
1-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazole-5-carbonyl]-4-(2-methoxyphenyl)piperazine

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

D314-0024

Molecular Formula

C21H25N5O2S (C21 H25 N5 O2 S)

Compound Name

1-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazole-5-carbonyl]-4-(2-methoxyphenyl)piperazine

IUPAC name

1-[2-(35-dimethyl-1H-pyrazol-1-yl)-4-methyl-13-thiazole-5-carbonyl]-4-(2-methoxyphenyl)piperazine

SMILES

Cc1cc(C)nn1-c1nc(C)c(C(N(CC2)CCN2c(cccc2)c2OC)=O)s1

InChI

InChI=1S/C21H25N5O2S/c1-14-13-15(2)26(23-14)21-22-16(3)19(29-21)20(27)25-11-9-24(10-12-25)17-7-5-6-8-18(17)28-4/h5-8,13H,9-12H2,1-4H3

InChI Key

IXWJGPYVNQLEIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14817946

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.024

Distribution Coefficient, logD

3.019

Water Solubility, LogSw

-3.31

Polar Surface Area

51.745

Acid Dissociation Constant (pKa)

28.47

Base Dissociation Constant (pKb)

5.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

D314-0024 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 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:
  • Cancer
  • 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 D314-0024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D314-0024?
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What is the minimum amount of D314-0024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D314-0024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D314-0024
  • 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 D314-0024 available by request