L827-0561 Screening compound: 2-(4-{5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}piperazin-1-yl)pyrimidine

L827-0561 Screening compound: 2-(4-{5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}piperazin-1-yl)pyrimidine
L827-0561 Screening compound: 2-(4-{5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}piperazin-1-yl)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound L827-0561
2-(4-{5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}piperazin-1-yl)pyrimidine

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

L827-0561

Molecular Formula

C22H21N7O (C22 H21 N7 O)

Compound Name

2-(4-{5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}piperazin-1-yl)pyrimidine

IUPAC name

2-(4-{5-[3-(4-methylphenyl)-124-oxadiazol-5-yl]pyridin-2-yl}piperazin-1-yl)pyrimidine

SMILES

Cc(cc1)ccc1-c1noc(-c(cc2)cnc2N(CC2)CCN2c2ncccn2)n1

InChI

InChI=1S/C22H21N7O/c1-16-3-5-17(6-4-16)20-26-21(30-27-20)18-7-8-19(25-15-18)28-11-13-29(14-12-28)22-23-9-2-10-24-22/h2-10,15H,11-14H2,1H3

InChI Key

VEYSIVSFZJCNID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27478210

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.045

Distribution Coefficient, logD

5.032

Water Solubility, LogSw

-4.50

Polar Surface Area

65.320

Acid Dissociation Constant (pKa)

20.84

Base Dissociation Constant (pKb)

5.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

L827-0561 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L827-0561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L827-0561?
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What is the minimum amount of L827-0561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L827-0561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L827-0561
  • 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 L827-0561 available by request