S570-0349 Screening compound: N-{[1-(cyclopropylmethyl)-2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl]methyl}-1,3-dimethyl-1H-pyrazole-5-carboxamide

S570-0349 Screening compound: N-{[1-(cyclopropylmethyl)-2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl]methyl}-1,3-dimethyl-1H-pyrazole-5-carboxamide
S570-0349 Screening compound: N-{[1-(cyclopropylmethyl)-2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl]methyl}-1,3-dimethyl-1H-pyrazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S570-0349
N-{[1-(cyclopropylmethyl)-2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl]methyl}-1,3-dimethyl-1H-pyrazole-5-carboxamide

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

S570-0349

Molecular Formula

C20H28N4O2 (C20 H28 N4 O2)

Compound Name

N-{[1-(cyclopropylmethyl)-2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl]methyl}-1,3-dimethyl-1H-pyrazole-5-carboxamide

IUPAC name

N-{[1-(cyclopropylmethyl)-2-oxo-12344a567-octahydroquinolin-4a-yl]methyl}-13-dimethyl-1H-pyrazole-5-carboxamide

SMILES

Cc1nn(C)c(C(NCC2(CCC(N3CC4CC4)=O)C3=CCCC2)=O)c1

InChI

InChI=1S/C20H28N4O2/c1-14-11-16(23(2)22-14)19(26)21-13-20-9-4-3-5-17(20)24(12-15-6-7-15)18(25)8-10-20/h5,11,15H,3-4,6-10,12-13H2,1-2H3,(H,21,26)/t20-/m0/s1

InChI Key

KLIKERKDJMBSLZ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD31961253

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.47

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

2.474

Distribution Coefficient, logD

2.472

Water Solubility, LogSw

-2.56

Polar Surface Area

53.889

Acid Dissociation Constant (pKa)

13.33

Base Dissociation Constant (pKb)

4.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.00

S570-0349 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with S570-0349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S570-0349?
Check Price and Availability of S570-0349, 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 S570-0349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S570-0349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S570-0349
  • 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 S570-0349 available by request