S570-0046 Screening compound: 1-(4-methoxyphenyl)-3-[(2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl)methyl]urea

S570-0046 Screening compound: 1-(4-methoxyphenyl)-3-[(2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl)methyl]urea
S570-0046 Screening compound: 1-(4-methoxyphenyl)-3-[(2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl)methyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound S570-0046
1-(4-methoxyphenyl)-3-[(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

S570-0046

Molecular Formula

C18H23N3O3 (C18 H23 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1NC(NCC1(CCC(N2)=O)C2=CCCC1)=O

InChI

InChI=1S/C18H23N3O3/c1-24-14-7-5-13(6-8-14)20-17(23)19-12-18-10-3-2-4-15(18)21-16(22)9-11-18/h4-8H,2-3,9-12H2,1H3,(H,21,22)(H2,19,20,23)/t18-/m0/s1

InChI Key

AQJDVSQNSMYNAL-SFHVURJKSA-N

MDL Number (MFCD)

MFCD31960960

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.633

Distribution Coefficient, logD

2.633

Water Solubility, LogSw

-3.13

Polar Surface Area

66.561

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

3.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.44

S570-0046 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S570-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S570-0046?
Check Price and Availability of S570-0046, 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 S570-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S570-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S570-0046
  • 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 S570-0046 available by request