C226-2879 Screening compound: 1-benzyl-4-[5-(propan-2-yl)-1,2-oxazole-3-carbonyl]piperazine

C226-2879 Screening compound: 1-benzyl-4-[5-(propan-2-yl)-1,2-oxazole-3-carbonyl]piperazine
C226-2879 Screening compound: 1-benzyl-4-[5-(propan-2-yl)-1,2-oxazole-3-carbonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-2879
1-benzyl-4-[5-(propan-2-yl)-1,2-oxazole-3-carbonyl]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

C226-2879

Molecular Formula

C18H23N3O2 (C18 H23 N3 O2)

Compound Name

1-benzyl-4-[5-(propan-2-yl)-1,2-oxazole-3-carbonyl]piperazine

IUPAC name

1-benzyl-4-[5-(propan-2-yl)-12-oxazole-3-carbonyl]piperazine

SMILES

CC(C)c1cc(C(N2CCN(Cc3ccccc3)CC2)=O)no1

InChI

InChI=1S/C18H23N3O2/c1-14(2)17-12-16(19-23-17)18(22)21-10-8-20(9-11-21)13-15-6-4-3-5-7-15/h3-7,12,14H,8-11,13H2,1-2H3

InChI Key

KJYBVFFNXDMQIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14733218

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.828

Distribution Coefficient, logD

2.813

Water Solubility, LogSw

-3.18

Polar Surface Area

42.234

Acid Dissociation Constant (pKa)

24.20

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

C226-2879 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C226-2879 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-2879?
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What is the minimum amount of C226-2879 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-2879
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-2879
  • 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 C226-2879 available by request