S688-2387 Screening compound: 3-[1-(cyclopropylmethyl)-4-(2-methoxyethyl)piperidin-4-yl]-1-[(4-methylphenyl)methyl]urea

S688-2387 Screening compound: 3-[1-(cyclopropylmethyl)-4-(2-methoxyethyl)piperidin-4-yl]-1-[(4-methylphenyl)methyl]urea
S688-2387 Screening compound: 3-[1-(cyclopropylmethyl)-4-(2-methoxyethyl)piperidin-4-yl]-1-[(4-methylphenyl)methyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound S688-2387
3-[1-(cyclopropylmethyl)-4-(2-methoxyethyl)piperidin-4-yl]-1-[(4-methylphenyl)methyl]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

S688-2387

Molecular Formula

C21H33N3O2 (C21 H33 N3 O2)

Compound Name

3-[1-(cyclopropylmethyl)-4-(2-methoxyethyl)piperidin-4-yl]-1-[(4-methylphenyl)methyl]urea

IUPAC name

3-[1-(cyclopropylmethyl)-4-(2-methoxyethyl)piperidin-4-yl]-1-[(4-methylphenyl)methyl]urea

SMILES

Cc1ccc(CNC(NC2(CCOC)CCN(CC3CC3)CC2)=O)cc1

InChI

InChI=1S/C21H33N3O2/c1-17-3-5-18(6-4-17)15-22-20(25)23-21(11-14-26-2)9-12-24(13-10-21)16-19-7-8-19/h3-6,19H,7-16H2,1-2H3,(H2,22,23,25)

InChI Key

NTHPWRQRSMGPJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31996829

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.878

Distribution Coefficient, logD

-0.365

Water Solubility, LogSw

-3.24

Polar Surface Area

47.634

Acid Dissociation Constant (pKa)

15.20

Base Dissociation Constant (pKb)

10.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.67

S688-2387 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 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)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S688-2387 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S688-2387?
Check Price and Availability of S688-2387, 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 S688-2387 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S688-2387
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S688-2387
  • 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 S688-2387 available by request