G779-0676 Screening compound: 3-(3-{1-[(4-chlorophenyl)methyl]-1,2,3,6-tetrahydropyridin-4-yl}-1,2,4-oxadiazol-5-yl)-N-(5-methylpyridin-2-yl)propanamide

G779-0676 Screening compound: 3-(3-{1-[(4-chlorophenyl)methyl]-1,2,3,6-tetrahydropyridin-4-yl}-1,2,4-oxadiazol-5-yl)-N-(5-methylpyridin-2-yl)propanamide
G779-0676 Screening compound: 3-(3-{1-[(4-chlorophenyl)methyl]-1,2,3,6-tetrahydropyridin-4-yl}-1,2,4-oxadiazol-5-yl)-N-(5-methylpyridin-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G779-0676
3-(3-{1-[(4-chlorophenyl)methyl]-1,2,3,6-tetrahydropyridin-4-yl}-1,2,4-oxadiazol-5-yl)-N-(5-methylpyridin-2-yl)propanamide

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

G779-0676

Molecular Formula

C23H24ClN5O2 (C23 H24 ClN5 O2)

Compound Name

3-(3-{1-[(4-chlorophenyl)methyl]-1,2,3,6-tetrahydropyridin-4-yl}-1,2,4-oxadiazol-5-yl)-N-(5-methylpyridin-2-yl)propanamide

IUPAC name

3-(3-{1-[(4-chlorophenyl)methyl]-1236-tetrahydropyridin-4-yl}-124-oxadiazol-5-yl)-N-(5-methylpyridin-2-yl)propanamide

SMILES

Cc(cc1)cnc1NC(CCc1nc(C2=CCN(Cc(cc3)ccc3Cl)CC2)no1)=O

InChI

InChI=1S/C23H24ClN5O2/c1-16-2-7-20(25-14-16)26-21(30)8-9-22-27-23(28-31-22)18-10-12-29(13-11-18)15-17-3-5-19(24)6-4-17/h2-7,10,14H,8-9,11-13,15H2,1H3,(H,25,26,30)

InChI Key

FWYWHEGTYRXDHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15035492

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.93

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.480

Distribution Coefficient, logD

4.461

Water Solubility, LogSw

-4.40

Polar Surface Area

67.896

Acid Dissociation Constant (pKa)

10.49

Base Dissociation Constant (pKb)

6.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

G779-0676 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G779-0676 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G779-0676?
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What is the minimum amount of G779-0676 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G779-0676
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G779-0676
  • 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 G779-0676 available by request