D676-0081 Screening compound: 1-(6-chloropyridine-3-carbonyl)-4-{[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}piperazine

D676-0081 Screening compound: 1-(6-chloropyridine-3-carbonyl)-4-{[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}piperazine
D676-0081 Screening compound: 1-(6-chloropyridine-3-carbonyl)-4-{[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D676-0081
1-(6-chloropyridine-3-carbonyl)-4-{[5-(4-methylphenyl)-1,2,4-oxadiazol-3-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

D676-0081

Molecular Formula

C20H20ClN5O2 (C20 H20 ClN5 O2)

Compound Name

1-(6-chloropyridine-3-carbonyl)-4-{[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}piperazine

IUPAC name

1-(6-chloropyridine-3-carbonyl)-4-{[5-(4-methylphenyl)-124-oxadiazol-3-yl]methyl}piperazine

SMILES

Cc(cc1)ccc1-c1nc(CN(CC2)CCN2C(c(cc2)cnc2Cl)=O)no1

InChI

InChI=1S/C20H20ClN5O2/c1-14-2-4-15(5-3-14)19-23-18(24-28-19)13-25-8-10-26(11-9-25)20(27)16-6-7-17(21)22-12-16/h2-7,12H,8-11,13H2,1H3

InChI Key

TZLPONQEVRLBNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27595676

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.86

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.401

Distribution Coefficient, logD

2.401

Water Solubility, LogSw

-2.98

Polar Surface Area

62.099

Acid Dissociation Constant (pKa)

28.02

Base Dissociation Constant (pKb)

2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

D676-0081 in Drug Discovery

Included in Screening Libraries

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

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with D676-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D676-0081?
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What is the minimum amount of D676-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D676-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D676-0081
  • 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 D676-0081 available by request