G406-1671 Screening compound: N-benzyl-2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-2-oxo-1,2,3,4-tetrahydroquinolin-1-yl}-N-(propan-2-yl)acetamide

G406-1671 Screening compound: N-benzyl-2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-2-oxo-1,2,3,4-tetrahydroquinolin-1-yl}-N-(propan-2-yl)acetamide
G406-1671 Screening compound: N-benzyl-2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-2-oxo-1,2,3,4-tetrahydroquinolin-1-yl}-N-(propan-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G406-1671
N-benzyl-2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-2-oxo-1,2,3,4-tetrahydroquinolin-1-yl}-N-(propan-2-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

G406-1671

Molecular Formula

C27H35N3O4S (C27 H35 N3 O4 S)

Compound Name

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

IUPAC name

N-benzyl-2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-2-oxo-1234-tetrahydroquinolin-1-yl}-N-(propan-2-yl)acetamide

SMILES

CC(C)N(Cc1ccccc1)C(CN(C(CC1)=O)c(cc2)c1cc2S(N1CCC(C)CC1)(=O)=O)=O

InChI

InChI=1S/C27H35N3O4S/c1-20(2)29(18-22-7-5-4-6-8-22)27(32)19-30-25-11-10-24(17-23(25)9-12-26(30)31)35(33,34)28-15-13-21(3)14-16-28/h4-8,10-11,17,20-21H,9,12-16,18-19H2,1-3H3

InChI Key

NPIBVSANXXOKRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27139347

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.66

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.258

Distribution Coefficient, logD

4.258

Water Solubility, LogSw

-4.24

Polar Surface Area

63.029

Acid Dissociation Constant (pKa)

21.02

Base Dissociation Constant (pKb)

-0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.10

G406-1671 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 G406-1671 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G406-1671?
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What is the minimum amount of G406-1671 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G406-1671
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G406-1671
  • 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 G406-1671 available by request