S570-0066 Screening compound: 3-[(2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl)methyl]-1-phenylurea

S570-0066 Screening compound: 3-[(2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl)methyl]-1-phenylurea
S570-0066 Screening compound: 3-[(2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl)methyl]-1-phenylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound S570-0066
3-[(2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl)methyl]-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

S570-0066

Molecular Formula

C17H21N3O2 (C17 H21 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(NCC1(CCC(N2)=O)C2=CCCC1)Nc1ccccc1

InChI

InChI=1S/C17H21N3O2/c21-15-9-11-17(10-5-4-8-14(17)20-15)12-18-16(22)19-13-6-2-1-3-7-13/h1-3,6-8H,4-5,9-12H2,(H,20,21)(H2,18,19,22)/t17-/m0/s1

InChI Key

JDHOCZAFQDYPLF-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD31984929

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.459

Distribution Coefficient, logD

2.459

Water Solubility, LogSw

-2.81

Polar Surface Area

59.018

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

3.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.18

S570-0066 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S570-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S570-0066?
Check Price and Availability of S570-0066, 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 S570-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S570-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S570-0066
  • 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 S570-0066 available by request