S688-0492 Screening compound: 3-ethyl-1-[4-(2-methoxyethyl)-1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]urea

S688-0492 Screening compound: 3-ethyl-1-[4-(2-methoxyethyl)-1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]urea
S688-0492 Screening compound: 3-ethyl-1-[4-(2-methoxyethyl)-1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound S688-0492
3-ethyl-1-[4-(2-methoxyethyl)-1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]urea

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

S688-0492

Molecular Formula

C17H29N3O2S (C17 H29 N3 O2 S)

Compound Name

3-ethyl-1-[4-(2-methoxyethyl)-1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]urea

IUPAC name

3-ethyl-1-[4-(2-methoxyethyl)-1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]urea

SMILES

CCNC(NC1(CCOC)CCN(Cc2ccc(C)s2)CC1)=O

InChI

InChI=1S/C17H29N3O2S/c1-4-18-16(21)19-17(9-12-22-3)7-10-20(11-8-17)13-15-6-5-14(2)23-15/h5-6H,4,7-13H2,1-3H3,(H2,18,19,21)

InChI Key

BHNXKEHDYXVRLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32225431

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.518

Distribution Coefficient, logD

0.856

Water Solubility, LogSw

-2.80

Polar Surface Area

48.026

Acid Dissociation Constant (pKa)

17.31

Base Dissociation Constant (pKb)

9.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

70.59

S688-0492 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS BBB Library (22607 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S688-0492 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S688-0492?
Check Price and Availability of S688-0492, 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 S688-0492 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S688-0492
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S688-0492
  • 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 S688-0492 available by request