D314-0363 Screening compound: N-(4-acetylphenyl)-2-{4-[(2-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-1,3-thiazole-5-carboxamide

D314-0363 Screening compound: N-(4-acetylphenyl)-2-{4-[(2-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-1,3-thiazole-5-carboxamide
D314-0363 Screening compound: N-(4-acetylphenyl)-2-{4-[(2-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-1,3-thiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D314-0363
N-(4-acetylphenyl)-2-{4-[(2-chlorophenyl)methyl]-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

D314-0363

Molecular Formula

C25H23ClN4O2S (C25 H23 ClN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(c(cc1)ccc1NC(c1c(C)nc(-n2nc(C)c(Cc(cccc3)c3Cl)c2C)s1)=O)=O

InChI

InChI=1S/C25H23ClN4O2S/c1-14-21(13-19-7-5-6-8-22(19)26)16(3)30(29-14)25-27-15(2)23(33-25)24(32)28-20-11-9-18(10-12-20)17(4)31/h5-12H,13H2,1-4H3,(H,28,32)

InChI Key

VLSYUOFDIYKLBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14818143

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.203

Distribution Coefficient, logD

5.180

Water Solubility, LogSw

-5.63

Polar Surface Area

61.700

Acid Dissociation Constant (pKa)

8.65

Base Dissociation Constant (pKb)

3.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D314-0363 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 D314-0363 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D314-0363?
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What is the minimum amount of D314-0363 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D314-0363
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D314-0363
  • 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 D314-0363 available by request