D678-0039 Screening compound: 2-chloro-N-{[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}pyridine-3-carboxamide

D678-0039 Screening compound: 2-chloro-N-{[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}pyridine-3-carboxamide
D678-0039 Screening compound: 2-chloro-N-{[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D678-0039
2-chloro-N-{[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}pyridine-3-carboxamide

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

D678-0039

Molecular Formula

C16H13ClN4O2 (C16 H13 ClN4 O2)

Compound Name

2-chloro-N-{[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}pyridine-3-carboxamide

IUPAC name

2-chloro-N-{[5-(3-methylphenyl)-124-oxadiazol-3-yl]methyl}pyridine-3-carboxamide

SMILES

Cc1cccc(-c2nc(CNC(c3cccnc3Cl)=O)no2)c1

InChI

InChI=1S/C16H13ClN4O2/c1-10-4-2-5-11(8-10)16-20-13(21-23-16)9-19-15(22)12-6-3-7-18-14(12)17/h2-8H,9H2,1H3,(H,19,22)

InChI Key

IHVGNXKZRLANHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27595899

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.76

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.970

Distribution Coefficient, logD

2.970

Water Solubility, LogSw

-3.64

Polar Surface Area

67.005

Acid Dissociation Constant (pKa)

11.29

Base Dissociation Constant (pKb)

-0.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

D678-0039 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D678-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D678-0039?
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What is the minimum amount of D678-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D678-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D678-0039
  • 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 D678-0039 available by request