G406-1701 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-2-oxo-1,2,3,4-tetrahydroquinolin-1-yl}acetamide

G406-1701 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-2-oxo-1,2,3,4-tetrahydroquinolin-1-yl}acetamide
G406-1701 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-2-oxo-1,2,3,4-tetrahydroquinolin-1-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G406-1701
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-2-oxo-1,2,3,4-tetrahydroquinolin-1-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

G406-1701

Molecular Formula

C25H29N3O6S (C25 H29 N3 O6 S)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-2-oxo-1,2,3,4-tetrahydroquinolin-1-yl}acetamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-2-oxo-1234-tetrahydroquinolin-1-yl}acetamide

SMILES

CC(CC1)CCN1S(c(cc1)cc(CC2)c1N(CC(Nc(cc1)cc3c1OCCO3)=O)C2=O)(=O)=O

InChI

InChI=1S/C25H29N3O6S/c1-17-8-10-27(11-9-17)35(31,32)20-4-5-21-18(14-20)2-7-25(30)28(21)16-24(29)26-19-3-6-22-23(15-19)34-13-12-33-22/h3-6,14-15,17H,2,7-13,16H2,1H3,(H,26,29)

InChI Key

CEXBGECLHGNITO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27139368

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.857

Distribution Coefficient, logD

2.857

Water Solubility, LogSw

-3.59

Polar Surface Area

86.302

Acid Dissociation Constant (pKa)

11.21

Base Dissociation Constant (pKb)

2.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

G406-1701 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G406-1701 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G406-1701?
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What is the minimum amount of G406-1701 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G406-1701
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G406-1701
  • 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 G406-1701 available by request