S570-0006 Screening compound: 4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-5-methyl-N-[(2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl)methyl]-1,2-oxazole-3-carboxamide

S570-0006 Screening compound: 4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-5-methyl-N-[(2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl)methyl]-1,2-oxazole-3-carboxamide
S570-0006 Screening compound: 4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-5-methyl-N-[(2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl)methyl]-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S570-0006
4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-5-methyl-N-[(2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl)methyl]-1,2-oxazole-3-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

S570-0006

Molecular Formula

C21H27N5O3 (C21 H27 N5 O3)

Compound Name

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

IUPAC name

4-[(35-dimethyl-1H-pyrazol-1-yl)methyl]-5-methyl-N-[(2-oxo-12344a567-octahydroquinolin-4a-yl)methyl]-12-oxazole-3-carboxamide

SMILES

Cc1cc(C)nn1Cc1c(C)onc1C(NCC1(CCC(N2)=O)C2=CCCC1)=O

InChI

InChI=1S/C21H27N5O3/c1-13-10-14(2)26(24-13)11-16-15(3)29-25-19(16)20(28)22-12-21-8-5-4-6-17(21)23-18(27)7-9-21/h6,10H,4-5,7-9,11-12H2,1-3H3,(H,22,28)(H,23,27)/t21-/m0/s1

InChI Key

SCHPHYDYTBGLKJ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD31978342

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.505

Distribution Coefficient, logD

1.505

Water Solubility, LogSw

-2.12

Polar Surface Area

85.773

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

4.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.38

S570-0006 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

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

Protein-Protein Interaction Library (218420 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S570-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S570-0006?
Check Price and Availability of S570-0006, 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 S570-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S570-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S570-0006
  • 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 S570-0006 available by request