D653-0132 Screening compound: 1-[5-(3,4-dimethylphenyl)-1,2-oxazole-3-carbonyl]-4-[(pyridin-4-yl)methyl]piperazine

D653-0132 Screening compound: 1-[5-(3,4-dimethylphenyl)-1,2-oxazole-3-carbonyl]-4-[(pyridin-4-yl)methyl]piperazine
D653-0132 Screening compound: 1-[5-(3,4-dimethylphenyl)-1,2-oxazole-3-carbonyl]-4-[(pyridin-4-yl)methyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D653-0132
1-[5-(3,4-dimethylphenyl)-1,2-oxazole-3-carbonyl]-4-[(pyridin-4-yl)methyl]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

D653-0132

Molecular Formula

C22H24N4O2 (C22 H24 N4 O2)

Compound Name

1-[5-(3,4-dimethylphenyl)-1,2-oxazole-3-carbonyl]-4-[(pyridin-4-yl)methyl]piperazine

IUPAC name

1-[5-(34-dimethylphenyl)-12-oxazole-3-carbonyl]-4-[(pyridin-4-yl)methyl]piperazine

SMILES

Cc(cc1)c(C)cc1-c1cc(C(N2CCN(Cc3ccncc3)CC2)=O)no1

InChI

InChI=1S/C22H24N4O2/c1-16-3-4-19(13-17(16)2)21-14-20(24-28-21)22(27)26-11-9-25(10-12-26)15-18-5-7-23-8-6-18/h3-8,13-14H,9-12,15H2,1-2H3

InChI Key

ACPOGDMTUPPSIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18079196

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.946

Distribution Coefficient, logD

2.921

Water Solubility, LogSw

-2.77

Polar Surface Area

51.391

Acid Dissociation Constant (pKa)

28.07

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

D653-0132 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Antibacterial Compounds Library (13827 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with D653-0132 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D653-0132?
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What is the minimum amount of D653-0132 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D653-0132
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D653-0132
  • 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 D653-0132 available by request