S570-0304 Screening compound: 3-(3,5-dimethyl-1H-pyrazol-1-yl)-N-[(1-methyl-2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl)methyl]propanamide

S570-0304 Screening compound: 3-(3,5-dimethyl-1H-pyrazol-1-yl)-N-[(1-methyl-2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl)methyl]propanamide
S570-0304 Screening compound: 3-(3,5-dimethyl-1H-pyrazol-1-yl)-N-[(1-methyl-2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S570-0304
3-(3,5-dimethyl-1H-pyrazol-1-yl)-N-[(1-methyl-2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl)methyl]propanamide

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

S570-0304

Molecular Formula

C19H28N4O2 (C19 H28 N4 O2)

Compound Name

3-(3,5-dimethyl-1H-pyrazol-1-yl)-N-[(1-methyl-2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl)methyl]propanamide

IUPAC name

3-(35-dimethyl-1H-pyrazol-1-yl)-N-[(1-methyl-2-oxo-12344a567-octahydroquinolin-4a-yl)methyl]propanamide

SMILES

Cc1cc(C)nn1CCC(NCC1(CCC(N2C)=O)C2=CCCC1)=O

InChI

InChI=1S/C19H28N4O2/c1-14-12-15(2)23(21-14)11-8-17(24)20-13-19-9-5-4-6-16(19)22(3)18(25)7-10-19/h6,12H,4-5,7-11,13H2,1-3H3,(H,20,24)/t19-/m0/s1

InChI Key

IEDVDEKDMSSSDE-IBGZPJMESA-N

MDL Number (MFCD)

MFCD31985696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.131

Distribution Coefficient, logD

1.131

Water Solubility, LogSw

-1.87

Polar Surface Area

53.852

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

3.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.16

S570-0304 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with S570-0304 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S570-0304?
Check Price and Availability of S570-0304, 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 S570-0304 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S570-0304
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S570-0304
  • 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 S570-0304 available by request