S420-0333 Screening compound: N-[(2,4-difluorophenyl)methyl]-5-methyl-11-oxo-5H,5aH,6H,7H,8H,9H,11H-pyrido[2,1-b]quinazoline-3-carboxamide

S420-0333 Screening compound: N-[(2,4-difluorophenyl)methyl]-5-methyl-11-oxo-5H,5aH,6H,7H,8H,9H,11H-pyrido[2,1-b]quinazoline-3-carboxamide
S420-0333 Screening compound: N-[(2,4-difluorophenyl)methyl]-5-methyl-11-oxo-5H,5aH,6H,7H,8H,9H,11H-pyrido[2,1-b]quinazoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S420-0333
N-[(2,4-difluorophenyl)methyl]-5-methyl-11-oxo-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

S420-0333

Molecular Formula

C21H21F2N3O2 (C21 H21 F2 N3 O2)

Compound Name

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

IUPAC name

N-[(24-difluorophenyl)methyl]-5-methyl-11-oxo-5H5aH6H7H8H9H11H-pyrido[21-b]quinazoline-3-carboxamide

SMILES

CN(C1N2CCCC1)c(cc(cc1)C(NCc(ccc(F)c3)c3F)=O)c1C2=O

InChI

InChI=1S/C21H21F2N3O2/c1-25-18-10-13(20(27)24-12-14-5-7-15(22)11-17(14)23)6-8-16(18)21(28)26-9-3-2-4-19(25)26/h5-8,10-11,19H,2-4,9,12H2,1H3,(H,24,27)/t19-/m0/s1

InChI Key

RABBTRMSGKDGQE-IBGZPJMESA-N

MDL Number (MFCD)

MFCD29031729

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.834

Distribution Coefficient, logD

2.834

Water Solubility, LogSw

-3.47

Polar Surface Area

42.702

Acid Dissociation Constant (pKa)

12.67

Base Dissociation Constant (pKb)

-1.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

S420-0333 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

STING Agonist Library (5895 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics
Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with S420-0333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S420-0333?
Check Price and Availability of S420-0333, 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 S420-0333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S420-0333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S420-0333
  • 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 S420-0333 available by request