G876-0289 Screening compound: 2-{2-[(azepan-1-yl)methyl]-5-methoxy-4-oxo-1,4-dihydropyridin-1-yl}-N-(3-methylphenyl)acetamide

G876-0289 Screening compound: 2-{2-[(azepan-1-yl)methyl]-5-methoxy-4-oxo-1,4-dihydropyridin-1-yl}-N-(3-methylphenyl)acetamide
G876-0289 Screening compound: 2-{2-[(azepan-1-yl)methyl]-5-methoxy-4-oxo-1,4-dihydropyridin-1-yl}-N-(3-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G876-0289
2-{2-[(azepan-1-yl)methyl]-5-methoxy-4-oxo-1,4-dihydropyridin-1-yl}-N-(3-methylphenyl)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

G876-0289

Molecular Formula

C22H29N3O3 (C22 H29 N3 O3)

Compound Name

2-{2-[(azepan-1-yl)methyl]-5-methoxy-4-oxo-1,4-dihydropyridin-1-yl}-N-(3-methylphenyl)acetamide

IUPAC name

2-{2-[(azepan-1-yl)methyl]-5-methoxy-4-oxo-14-dihydropyridin-1-yl}-N-(3-methylphenyl)acetamide

SMILES

Cc1cccc(NC(CN(C=C2OC)C(CN3CCCCCC3)=CC2=O)=O)c1

InChI

InChI=1S/C22H29N3O3/c1-17-8-7-9-18(12-17)23-22(27)16-25-15-21(28-2)20(26)13-19(25)14-24-10-5-3-4-6-11-24/h7-9,12-13,15H,3-6,10-11,14,16H2,1-2H3,(H,23,27)

InChI Key

ARHMCVNVSPZGNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08534428

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.701

Distribution Coefficient, logD

2.491

Water Solubility, LogSw

-2.88

Polar Surface Area

50.558

Acid Dissociation Constant (pKa)

12.73

Base Dissociation Constant (pKb)

7.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

G876-0289 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Lipid Metabolism Library (9174 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G876-0289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G876-0289?
Check Price and Availability of G876-0289, 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 G876-0289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G876-0289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G876-0289
  • 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 G876-0289 available by request