S618-1808 Screening compound: N-{[(3S,4R)-1-(2,4-DIMETHOXYBENZYL)-3-(DIMETHYLAMINO)HEXAHYDRO-4-PYRIDINYL]METHYL}-N'-METHYLUREA

S618-1808 Screening compound: N-{[(3S,4R)-1-(2,4-DIMETHOXYBENZYL)-3-(DIMETHYLAMINO)HEXAHYDRO-4-PYRIDINYL]METHYL}-N'-METHYLUREA
S618-1808 Screening compound: N-{[(3S,4R)-1-(2,4-DIMETHOXYBENZYL)-3-(DIMETHYLAMINO)HEXAHYDRO-4-PYRIDINYL]METHYL}-N'-METHYLUREA alternative view

Chemical Structure Depiction of ChemDiv screening compound S618-1808
N-{[(3S,4R)-1-(2,4-DIMETHOXYBENZYL)-3-(DIMETHYLAMINO)HEXAHYDRO-4-PYRIDINYL]METHYL}-N'-METHYLUREA

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

S618-1808

Molecular Formula

C19H32N4O3 (C19 H32 N4 O3)

Compound Name

N-{[(3S,4R)-1-(2,4-DIMETHOXYBENZYL)-3-(DIMETHYLAMINO)HEXAHYDRO-4-PYRIDINYL]METHYL}-N'-METHYLUREA

IUPAC name

1-{[(3S4R)-1-[(24-dimethoxyphenyl)methyl]-3-(dimethylamino)piperidin-4-yl]methyl}-3-methylurea

SMILES

CNC(NC[C@H](CCN(Cc(ccc(OC)c1)c1OC)C1)[C@H]1N(C)C)=O

InChI

InChI=1S/C19H32N4O3/c1-20-19(24)21-11-14-8-9-23(13-17(14)22(2)3)12-15-6-7-16(25-4)10-18(15)26-5/h6-7,10,14,17H,8-9,11-13H2,1-5H3,(H2,20,21,24)/t14-,17-/m0/s1

InChI Key

HDRPEHCWMMDBOK-YOEHRIQHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.897

Distribution Coefficient, logD

-0.521

Water Solubility, LogSw

-2.16

Polar Surface Area

56.359

Acid Dissociation Constant (pKa)

15.45

Base Dissociation Constant (pKb)

8.80

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

63.16

S618-1808 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)

Soluble Diversity Library (15920 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • 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 S618-1808 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S618-1808?
Check Price and Availability of S618-1808, 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 S618-1808 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S618-1808
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S618-1808
  • 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 S618-1808 available by request