S570-0078 Screening compound: 3-(3-ethoxypropyl)-1-[(2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl)methyl]urea

S570-0078 Screening compound: 3-(3-ethoxypropyl)-1-[(2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl)methyl]urea
S570-0078 Screening compound: 3-(3-ethoxypropyl)-1-[(2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl)methyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound S570-0078
3-(3-ethoxypropyl)-1-[(2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl)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

S570-0078

Molecular Formula

C16H27N3O3 (C16 H27 N3 O3)

Compound Name

3-(3-ethoxypropyl)-1-[(2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl)methyl]urea

IUPAC name

3-(3-ethoxypropyl)-1-[(2-oxo-12344a567-octahydroquinolin-4a-yl)methyl]urea

SMILES

CCOCCCNC(NCC1(CCC(N2)=O)C2=CCCC1)=O

InChI

InChI=1S/C16H27N3O3/c1-2-22-11-5-10-17-15(21)18-12-16-8-4-3-6-13(16)19-14(20)7-9-16/h6H,2-5,7-12H2,1H3,(H,19,20)(H2,17,18,21)/t16-/m0/s1

InChI Key

HSSOBTYEVAYAPQ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD29014866

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.137

Distribution Coefficient, logD

1.137

Water Solubility, LogSw

-1.51

Polar Surface Area

68.430

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

3.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

75.00

S570-0078 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S570-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S570-0078?
Check Price and Availability of S570-0078, 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 S570-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S570-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S570-0078
  • 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 S570-0078 available by request