C226-1152 Screening compound: 1-[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]-4-(2-methoxyphenyl)piperazine

C226-1152 Screening compound: 1-[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]-4-(2-methoxyphenyl)piperazine
C226-1152 Screening compound: 1-[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]-4-(2-methoxyphenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-1152
1-[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazole-3-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

C226-1152

Molecular Formula

C22H21N3O5 (C22 H21 N3 O5)

Compound Name

1-[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]-4-(2-methoxyphenyl)piperazine

IUPAC name

1-[5-(2H-13-benzodioxol-5-yl)-12-oxazole-3-carbonyl]-4-(2-methoxyphenyl)piperazine

SMILES

COc(cccc1)c1N(CC1)CCN1C(c1noc(-c(cc2)cc3c2OCO3)c1)=O

InChI

InChI=1S/C22H21N3O5/c1-27-18-5-3-2-4-17(18)24-8-10-25(11-9-24)22(26)16-13-20(30-23-16)15-6-7-19-21(12-15)29-14-28-19/h2-7,12-13H,8-11,14H2,1H3

InChI Key

BIWXMSOIDDFITH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09782254

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.558

Distribution Coefficient, logD

3.558

Water Solubility, LogSw

-3.70

Polar Surface Area

66.127

Acid Dissociation Constant (pKa)

28.47

Base Dissociation Constant (pKb)

5.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C226-1152 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C226-1152 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-1152?
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What is the minimum amount of C226-1152 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-1152
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-1152
  • 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 C226-1152 available by request