G779-0397 Screening compound: 3-(3-{1-[(3-chlorophenyl)methyl]-1,2,3,6-tetrahydropyridin-4-yl}-1,2,4-oxadiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]propanamide

G779-0397 Screening compound: 3-(3-{1-[(3-chlorophenyl)methyl]-1,2,3,6-tetrahydropyridin-4-yl}-1,2,4-oxadiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
G779-0397 Screening compound: 3-(3-{1-[(3-chlorophenyl)methyl]-1,2,3,6-tetrahydropyridin-4-yl}-1,2,4-oxadiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G779-0397
3-(3-{1-[(3-chlorophenyl)methyl]-1,2,3,6-tetrahydropyridin-4-yl}-1,2,4-oxadiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]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

G779-0397

Molecular Formula

C24H22ClF3N4O2 (C24 H22 ClF3 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCc1nc(C2=CCN(Cc3cccc(Cl)c3)CC2)no1)Nc1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C24H22ClF3N4O2/c25-19-5-1-3-16(13-19)15-32-11-9-17(10-12-32)23-30-22(34-31-23)8-7-21(33)29-20-6-2-4-18(14-20)24(26,27)28/h1-6,9,13-14H,7-8,10-12,15H2,(H,29,33)

InChI Key

SZPSGSDRZOVAOP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15035449

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.91

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.632

Distribution Coefficient, logD

5.603

Water Solubility, LogSw

-6.09

Polar Surface Area

58.192

Acid Dissociation Constant (pKa)

10.11

Base Dissociation Constant (pKb)

6.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

G779-0397 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS Targets (44014 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with G779-0397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G779-0397?
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What is the minimum amount of G779-0397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G779-0397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G779-0397
  • 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 G779-0397 available by request