G855-5654 Screening compound: 1-(6-{[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]sulfonyl}-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one

G855-5654 Screening compound: 1-(6-{[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]sulfonyl}-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one
G855-5654 Screening compound: 1-(6-{[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]sulfonyl}-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G855-5654
1-(6-{[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]sulfonyl}-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one

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

G855-5654

Molecular Formula

C29H37N3O4S (C29 H37 N3 O4 S)

Compound Name

1-(6-{[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]sulfonyl}-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one

IUPAC name

1-(6-{[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]sulfonyl}-1234-tetrahydroquinolin-1-yl)ethan-1-one

SMILES

CC(N(CCC1)c(cc2)c1cc2S(N(CC1)CCC1C(N1CCC(Cc2ccccc2)CC1)=O)(=O)=O)=O

InChI

InChI=1S/C29H37N3O4S/c1-22(33)32-15-5-8-26-21-27(9-10-28(26)32)37(35,36)31-18-13-25(14-19-31)29(34)30-16-11-24(12-17-30)20-23-6-3-2-4-7-23/h2-4,6-7,9-10,21,24-25H,5,8,11-20H2,1H3

InChI Key

KKWKJRYKTDXRQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15041400

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.7

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.041

Distribution Coefficient, logD

4.041

Water Solubility, LogSw

-4.22

Polar Surface Area

64.378

Acid Dissociation Constant (pKa)

23.05

Base Dissociation Constant (pKb)

0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

51.70

G855-5654 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G855-5654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G855-5654?
Check Price and Availability of G855-5654, 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 G855-5654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G855-5654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G855-5654
  • 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 G855-5654 available by request