S618-0436 Screening compound: N~1~-{[(3S,4R)-1-(3-chloro-4-fluorobenzoyl)-3-(dimethylamino)hexahydro-4-pyridinyl]methyl}acetamide

S618-0436 Screening compound: N~1~-{[(3S,4R)-1-(3-chloro-4-fluorobenzoyl)-3-(dimethylamino)hexahydro-4-pyridinyl]methyl}acetamide
S618-0436 Screening compound: N~1~-{[(3S,4R)-1-(3-chloro-4-fluorobenzoyl)-3-(dimethylamino)hexahydro-4-pyridinyl]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S618-0436
N~1~-{[(3S,4R)-1-(3-chloro-4-fluorobenzoyl)-3-(dimethylamino)hexahydro-4-pyridinyl]methyl}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

S618-0436

Molecular Formula

C17H23ClFN3O2 (C17 H23 ClFN3 O2)

Compound Name

N~1~-{[(3S,4R)-1-(3-chloro-4-fluorobenzoyl)-3-(dimethylamino)hexahydro-4-pyridinyl]methyl}acetamide

IUPAC name

n/a

SMILES

CC(NC[C@H](CCN(C1)C(c(cc2)cc(Cl)c2F)=O)[C@H]1N(C)C)=O

InChI

InChI=1S/C17H23ClFN3O2/c1-11(23)20-9-13-6-7-22(10-16(13)21(2)3)17(24)12-4-5-15(19)14(18)8-12/h4-5,8,13,16H,6-7,9-10H2,1-3H3,(H,20,23)/t13-,16+/m1/s1

InChI Key

RDIJZBVUKMRPLA-CJNGLKHVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.84

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.781

Distribution Coefficient, logD

-0.056

Water Solubility, LogSw

-2.75

Polar Surface Area

43.315

Acid Dissociation Constant (pKa)

15.05

Base Dissociation Constant (pKb)

8.17

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.94

S618-0436 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S618-0436 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S618-0436?
Check Price and Availability of S618-0436, 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 S618-0436 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S618-0436
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S618-0436
  • 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 S618-0436 available by request