SA59-1170 Screening compound: 3-(2-aminoethyl)-3-(oxan-4-yl)-1-phenylurea

SA59-1170 Screening compound: 3-(2-aminoethyl)-3-(oxan-4-yl)-1-phenylurea
SA59-1170 Screening compound: 3-(2-aminoethyl)-3-(oxan-4-yl)-1-phenylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound SA59-1170
3-(2-aminoethyl)-3-(oxan-4-yl)-1-phenylurea

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

SA59-1170

Molecular Formula

C14H21N3O2 (C14 H21 N3 O2)

Compound Name

3-(2-aminoethyl)-3-(oxan-4-yl)-1-phenylurea

IUPAC name

3-(2-aminoethyl)-3-(oxan-4-yl)-1-phenylurea

SMILES

NCCN(C1CCOCC1)C(Nc1ccccc1)=O

InChI

InChI=1S/C14H21N3O2/c15-8-9-17(13-6-10-19-11-7-13)14(18)16-12-4-2-1-3-5-12/h1-5,13H,6-11,15H2,(H,16,18)

InChI Key

CKZODCWDOKNFEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32238794

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

263.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.871

Distribution Coefficient, logD

-2.340

Water Solubility, LogSw

-1.79

Polar Surface Area

53.557

Acid Dissociation Constant (pKa)

14.47

Base Dissociation Constant (pKb)

10.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

SA59-1170 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Soluble Diversity Library (15920 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with SA59-1170 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA59-1170?
Check Price and Availability of SA59-1170, 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 SA59-1170 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA59-1170
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA59-1170
  • 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 SA59-1170 available by request