S618-0692 Screening compound: N-{[(3S,4R)-3-(dimethylamino)-1-(2-isopropoxybenzyl)hexahydro-4-pyridinyl]methyl}acetamide

S618-0692 Screening compound: N-{[(3S,4R)-3-(dimethylamino)-1-(2-isopropoxybenzyl)hexahydro-4-pyridinyl]methyl}acetamide
S618-0692 Screening compound: N-{[(3S,4R)-3-(dimethylamino)-1-(2-isopropoxybenzyl)hexahydro-4-pyridinyl]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S618-0692
N-{[(3S,4R)-3-(dimethylamino)-1-(2-isopropoxybenzyl)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

S618-0692

Molecular Formula

C20H33N3O2 (C20 H33 N3 O2)

Compound Name

N-{[(3S,4R)-3-(dimethylamino)-1-(2-isopropoxybenzyl)hexahydro-4-pyridinyl]methyl}acetamide

IUPAC name

N-{[(3S4R)-3-(dimethylamino)-1-{[2-(propan-2-yloxy)phenyl]methyl}piperidin-4-yl]methyl}acetamide

SMILES

CC(C)Oc1c(CN(CC[C@H]2CNC(C)=O)C[C@@H]2N(C)C)cccc1

InChI

InChI=1S/C20H33N3O2/c1-15(2)25-20-9-7-6-8-18(20)13-23-11-10-17(12-21-16(3)24)19(14-23)22(4)5/h6-9,15,17,19H,10-14H2,1-5H3,(H,21,24)/t17-,19-/m0/s1

InChI Key

OAWXHBQPCACBBJ-HKUYNNGSSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.762

Distribution Coefficient, logD

-1.057

Water Solubility, LogSw

-2.23

Polar Surface Area

37.289

Acid Dissociation Constant (pKa)

15.05

Base Dissociation Constant (pKb)

10.22

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

65.00

S618-0692 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with S618-0692 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S618-0692?
Check Price and Availability of S618-0692, 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 S618-0692 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S618-0692
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S618-0692
  • 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 S618-0692 available by request