D653-0125 Screening compound: 1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carbonyl]-4-[(pyridin-4-yl)methyl]piperazine

D653-0125 Screening compound: 1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carbonyl]-4-[(pyridin-4-yl)methyl]piperazine
D653-0125 Screening compound: 1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carbonyl]-4-[(pyridin-4-yl)methyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D653-0125
1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-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

D653-0125

Molecular Formula

C22H22N4O4 (C22 H22 N4 O4)

Compound Name

1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carbonyl]-4-[(pyridin-4-yl)methyl]piperazine

IUPAC name

1-[5-(23-dihydro-14-benzodioxin-6-yl)-12-oxazole-3-carbonyl]-4-[(pyridin-4-yl)methyl]piperazine

SMILES

O=C(c1noc(-c(cc2)cc3c2OCCO3)c1)N1CCN(Cc2ccncc2)CC1

InChI

InChI=1S/C22H22N4O4/c27-22(26-9-7-25(8-10-26)15-16-3-5-23-6-4-16)18-14-20(30-24-18)17-1-2-19-21(13-17)29-12-11-28-19/h1-6,13-14H,7-12,15H2

InChI Key

LPKXAXAZEREPQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18079487

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.022

Distribution Coefficient, logD

0.997

Water Solubility, LogSw

-1.67

Polar Surface Area

67.214

Acid Dissociation Constant (pKa)

28.69

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

D653-0125 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D653-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D653-0125?
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What is the minimum amount of D653-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D653-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D653-0125
  • 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 D653-0125 available by request