G585-0445 Screening compound: 1-[(1-methyl-1H-indol-5-yl)sulfonyl]-N-(2-phenylpropyl)piperidine-4-carboxamide

G585-0445 Screening compound: 1-[(1-methyl-1H-indol-5-yl)sulfonyl]-N-(2-phenylpropyl)piperidine-4-carboxamide
G585-0445 Screening compound: 1-[(1-methyl-1H-indol-5-yl)sulfonyl]-N-(2-phenylpropyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G585-0445
1-[(1-methyl-1H-indol-5-yl)sulfonyl]-N-(2-phenylpropyl)piperidine-4-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

G585-0445

Molecular Formula

C24H29N3O3S (C24 H29 N3 O3 S)

Compound Name

1-[(1-methyl-1H-indol-5-yl)sulfonyl]-N-(2-phenylpropyl)piperidine-4-carboxamide

IUPAC name

1-[(1-methyl-1H-indol-5-yl)sulfonyl]-N-(2-phenylpropyl)piperidine-4-carboxamide

SMILES

CC(CNC(C(CC1)CCN1S(c(cc1)cc2c1n(C)cc2)(=O)=O)=O)c1ccccc1

InChI

InChI=1S/C24H29N3O3S/c1-18(19-6-4-3-5-7-19)17-25-24(28)20-11-14-27(15-12-20)31(29,30)22-8-9-23-21(16-22)10-13-26(23)2/h3-10,13,16,18,20H,11-12,14-15,17H2,1-2H3,(H,25,28)/t18-/m0/s1

InChI Key

HZRNSRDNRIPUIS-SFHVURJKSA-N

MDL Number (MFCD)

MFCD15020856

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.905

Distribution Coefficient, logD

3.905

Water Solubility, LogSw

-3.76

Polar Surface Area

59.029

Acid Dissociation Constant (pKa)

14.34

Base Dissociation Constant (pKb)

4.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

G585-0445 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G585-0445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G585-0445?
Check Price and Availability of G585-0445, 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 G585-0445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G585-0445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G585-0445
  • 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 G585-0445 available by request