S420-0370 Screening compound: 3-(4-cyclohexylpiperazine-1-carbonyl)-5-methyl-5H,5aH,6H,7H,8H,9H,11H-pyrido[2,1-b]quinazolin-11-one

S420-0370 Screening compound: 3-(4-cyclohexylpiperazine-1-carbonyl)-5-methyl-5H,5aH,6H,7H,8H,9H,11H-pyrido[2,1-b]quinazolin-11-one
S420-0370 Screening compound: 3-(4-cyclohexylpiperazine-1-carbonyl)-5-methyl-5H,5aH,6H,7H,8H,9H,11H-pyrido[2,1-b]quinazolin-11-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S420-0370
3-(4-cyclohexylpiperazine-1-carbonyl)-5-methyl-5H,5aH,6H,7H,8H,9H,11H-pyrido[2,1-b]quinazolin-11-one

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

S420-0370

Molecular Formula

C24H34N4O2 (C24 H34 N4 O2)

Compound Name

3-(4-cyclohexylpiperazine-1-carbonyl)-5-methyl-5H,5aH,6H,7H,8H,9H,11H-pyrido[2,1-b]quinazolin-11-one

IUPAC name

3-(4-cyclohexylpiperazine-1-carbonyl)-5-methyl-5H5aH6H7H8H9H11H-pyrido[21-b]quinazolin-11-one

SMILES

CN(C1N2CCCC1)c(cc(cc1)C(N(CC3)CCN3C3CCCCC3)=O)c1C2=O

InChI

InChI=1S/C24H34N4O2/c1-25-21-17-18(10-11-20(21)24(30)28-12-6-5-9-22(25)28)23(29)27-15-13-26(14-16-27)19-7-3-2-4-8-19/h10-11,17,19,22H,2-9,12-16H2,1H3/t22-/m0/s1

InChI Key

VTFFVDBTVSQNDF-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD29032998

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.409

Distribution Coefficient, logD

2.246

Water Solubility, LogSw

-2.90

Polar Surface Area

38.030

Acid Dissociation Constant (pKa)

25.06

Base Dissociation Constant (pKb)

7.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.70

S420-0370 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

GPCR Targeted Library (31838 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S420-0370 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S420-0370?
Check Price and Availability of S420-0370, 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 S420-0370 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S420-0370
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S420-0370
  • 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 S420-0370 available by request