S420-0670 Screening compound: 5-ethyl-11-oxo-N-(4-phenoxyphenyl)-5H,5aH,6H,7H,8H,9H,11H-pyrido[2,1-b]quinazoline-3-carboxamide

S420-0670 Screening compound: 5-ethyl-11-oxo-N-(4-phenoxyphenyl)-5H,5aH,6H,7H,8H,9H,11H-pyrido[2,1-b]quinazoline-3-carboxamide
S420-0670 Screening compound: 5-ethyl-11-oxo-N-(4-phenoxyphenyl)-5H,5aH,6H,7H,8H,9H,11H-pyrido[2,1-b]quinazoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S420-0670
5-ethyl-11-oxo-N-(4-phenoxyphenyl)-5H,5aH,6H,7H,8H,9H,11H-pyrido[2,1-b]quinazoline-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

S420-0670

Molecular Formula

C27H27N3O3 (C27 H27 N3 O3)

Compound Name

5-ethyl-11-oxo-N-(4-phenoxyphenyl)-5H,5aH,6H,7H,8H,9H,11H-pyrido[2,1-b]quinazoline-3-carboxamide

IUPAC name

5-ethyl-11-oxo-N-(4-phenoxyphenyl)-5H5aH6H7H8H9H11H-pyrido[21-b]quinazoline-3-carboxamide

SMILES

CCN(C1N2CCCC1)c(cc(cc1)C(Nc(cc3)ccc3Oc3ccccc3)=O)c1C2=O

InChI

InChI=1S/C27H27N3O3/c1-2-29-24-18-19(11-16-23(24)27(32)30-17-7-6-10-25(29)30)26(31)28-20-12-14-22(15-13-20)33-21-8-4-3-5-9-21/h3-5,8-9,11-16,18,25H,2,6-7,10,17H2,1H3,(H,28,31)/t25-/m0/s1

InChI Key

XSVRLSCGGYYIKM-VWLOTQADSA-N

MDL Number (MFCD)

MFCD29004852

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.53

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

5.066

Distribution Coefficient, logD

5.066

Water Solubility, LogSw

-4.61

Polar Surface Area

48.086

Acid Dissociation Constant (pKa)

12.46

Base Dissociation Constant (pKb)

5.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

S420-0670 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral Library (67538 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)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Mimetics
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S420-0670 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S420-0670?
Check Price and Availability of S420-0670, 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 S420-0670 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S420-0670
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S420-0670
  • 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 S420-0670 available by request