G876-0310 Screening compound: 2-{2-[(azepan-1-yl)methyl]-5-methoxy-4-oxo-1,4-dihydropyridin-1-yl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

G876-0310 Screening compound: 2-{2-[(azepan-1-yl)methyl]-5-methoxy-4-oxo-1,4-dihydropyridin-1-yl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
G876-0310 Screening compound: 2-{2-[(azepan-1-yl)methyl]-5-methoxy-4-oxo-1,4-dihydropyridin-1-yl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G876-0310
2-{2-[(azepan-1-yl)methyl]-5-methoxy-4-oxo-1,4-dihydropyridin-1-yl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)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

G876-0310

Molecular Formula

C23H29N3O5 (C23 H29 N3 O5)

Compound Name

2-{2-[(azepan-1-yl)methyl]-5-methoxy-4-oxo-1,4-dihydropyridin-1-yl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

IUPAC name

2-{2-[(azepan-1-yl)methyl]-5-methoxy-4-oxo-14-dihydropyridin-1-yl}-N-(23-dihydro-14-benzodioxin-6-yl)acetamide

SMILES

COC1=CN(CC(Nc(cc2)cc3c2OCCO3)=O)C(CN2CCCCCC2)=CC1=O

InChI

InChI=1S/C23H29N3O5/c1-29-22-15-26(18(13-19(22)27)14-25-8-4-2-3-5-9-25)16-23(28)24-17-6-7-20-21(12-17)31-11-10-30-20/h6-7,12-13,15H,2-5,8-11,14,16H2,1H3,(H,24,28)

InChI Key

WOBUPCFFDSJFKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08534448

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.314

Distribution Coefficient, logD

1.104

Water Solubility, LogSw

-2.19

Polar Surface Area

66.381

Acid Dissociation Constant (pKa)

11.25

Base Dissociation Constant (pKb)

7.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

G876-0310 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G876-0310 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G876-0310?
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What is the minimum amount of G876-0310 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G876-0310
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G876-0310
  • 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 G876-0310 available by request