G876-0313 Screening compound: 2-{2-[(azepan-1-yl)methyl]-5-methoxy-4-oxo-1,4-dihydropyridin-1-yl}-N-[4-(trifluoromethyl)phenyl]acetamide

G876-0313 Screening compound: 2-{2-[(azepan-1-yl)methyl]-5-methoxy-4-oxo-1,4-dihydropyridin-1-yl}-N-[4-(trifluoromethyl)phenyl]acetamide
G876-0313 Screening compound: 2-{2-[(azepan-1-yl)methyl]-5-methoxy-4-oxo-1,4-dihydropyridin-1-yl}-N-[4-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G876-0313
2-{2-[(azepan-1-yl)methyl]-5-methoxy-4-oxo-1,4-dihydropyridin-1-yl}-N-[4-(trifluoromethyl)phenyl]acetamide

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

G876-0313

Molecular Formula

C22H26F3N3O3 (C22 H26 F3 N3 O3)

Compound Name

2-{2-[(azepan-1-yl)methyl]-5-methoxy-4-oxo-1,4-dihydropyridin-1-yl}-N-[4-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-{2-[(azepan-1-yl)methyl]-5-methoxy-4-oxo-14-dihydropyridin-1-yl}-N-[4-(trifluoromethyl)phenyl]acetamide

SMILES

COC1=CN(CC(Nc2ccc(C(F)(F)F)cc2)=O)C(CN2CCCCCC2)=CC1=O

InChI

InChI=1S/C22H26F3N3O3/c1-31-20-14-28(18(12-19(20)29)13-27-10-4-2-3-5-11-27)15-21(30)26-17-8-6-16(7-9-17)22(23,24)25/h6-9,12,14H,2-5,10-11,13,15H2,1H3,(H,26,30)

InChI Key

SDKDGEXVNDZMRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08534450

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.214

Distribution Coefficient, logD

3.004

Water Solubility, LogSw

-3.52

Polar Surface Area

50.558

Acid Dissociation Constant (pKa)

12.43

Base Dissociation Constant (pKb)

7.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

G876-0313 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with G876-0313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G876-0313?
Check Price and Availability of G876-0313, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G876-0313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G876-0313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G876-0313
  • 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 G876-0313 available by request