G855-0814 Screening compound: 1-[(1-acetyl-1,2,3,4-tetrahydroquinolin-6-yl)sulfonyl]-N-(butan-2-yl)piperidine-3-carboxamide

G855-0814 Screening compound: 1-[(1-acetyl-1,2,3,4-tetrahydroquinolin-6-yl)sulfonyl]-N-(butan-2-yl)piperidine-3-carboxamide
G855-0814 Screening compound: 1-[(1-acetyl-1,2,3,4-tetrahydroquinolin-6-yl)sulfonyl]-N-(butan-2-yl)piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G855-0814
1-[(1-acetyl-1,2,3,4-tetrahydroquinolin-6-yl)sulfonyl]-N-(butan-2-yl)piperidine-3-carboxamide

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

G855-0814

Molecular Formula

C21H31N3O4S (C21 H31 N3 O4 S)

Compound Name

1-[(1-acetyl-1,2,3,4-tetrahydroquinolin-6-yl)sulfonyl]-N-(butan-2-yl)piperidine-3-carboxamide

IUPAC name

1-[(1-acetyl-1234-tetrahydroquinolin-6-yl)sulfonyl]-N-(butan-2-yl)piperidine-3-carboxamide

SMILES

CCC(C)NC(C(CCC1)CN1S(c(cc1)cc(CCC2)c1N2C(C)=O)(=O)=O)=O

InChI

InChI=1S/C21H31N3O4S/c1-4-15(2)22-21(26)18-8-5-11-23(14-18)29(27,28)19-9-10-20-17(13-19)7-6-12-24(20)16(3)25/h9-10,13,15,18H,4-8,11-12,14H2,1-3H3,(H,22,26)

InChI Key

HCNOKDAGYVBEPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15041150

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.774

Distribution Coefficient, logD

1.774

Water Solubility, LogSw

-2.66

Polar Surface Area

72.061

Acid Dissociation Constant (pKa)

14.68

Base Dissociation Constant (pKb)

4.48

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

61.90

G855-0814 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G855-0814 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G855-0814?
Check Price and Availability of G855-0814, 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 G855-0814 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G855-0814
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G855-0814
  • 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 G855-0814 available by request