S618-4072 Screening compound: N-{[(3S,4R)-3-(dimethylamino)-1-(3-thienylmethyl)hexahydro-4-pyridinyl]methyl}acetamide

S618-4072 Screening compound: N-{[(3S,4R)-3-(dimethylamino)-1-(3-thienylmethyl)hexahydro-4-pyridinyl]methyl}acetamide
S618-4072 Screening compound: N-{[(3S,4R)-3-(dimethylamino)-1-(3-thienylmethyl)hexahydro-4-pyridinyl]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S618-4072
N-{[(3S,4R)-3-(dimethylamino)-1-(3-thienylmethyl)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

S618-4072

Molecular Formula

C15H25N3OS (C15 H25 N3 OS)

Compound Name

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

IUPAC name

N-{[(3S4R)-3-(dimethylamino)-1-[(thiophen-3-yl)methyl]piperidin-4-yl]methyl}acetamide

SMILES

CC(NC[C@H](CCN(Cc1cscc1)C1)[C@H]1N(C)C)=O

InChI

InChI=1S/C15H25N3OS/c1-12(19)16-8-14-4-6-18(10-15(14)17(2)3)9-13-5-7-20-11-13/h5,7,11,14-15H,4,6,8-10H2,1-3H3,(H,16,19)/t14-,15+/m1/s1

InChI Key

FQWIDMIDBRAWDA-CABCVRRESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.554

Distribution Coefficient, logD

-1.714

Water Solubility, LogSw

-2.08

Polar Surface Area

31.418

Acid Dissociation Constant (pKa)

15.05

Base Dissociation Constant (pKb)

9.67

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

66.67

S618-4072 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Anti-HIV1 Library (19540 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 S618-4072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S618-4072?
Check Price and Availability of S618-4072, 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 S618-4072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S618-4072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S618-4072
  • 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 S618-4072 available by request