S349-0399 Screening compound: ethyl 2-{[(5-chloro-2-methylphenyl)carbamoyl]methyl}-3-oxo-2H,3H,5H,6H,7H,8H-pyrido[4,3-c]pyridazine-6-carboxylate

S349-0399 Screening compound: ethyl 2-{[(5-chloro-2-methylphenyl)carbamoyl]methyl}-3-oxo-2H,3H,5H,6H,7H,8H-pyrido[4,3-c]pyridazine-6-carboxylate
S349-0399 Screening compound: ethyl 2-{[(5-chloro-2-methylphenyl)carbamoyl]methyl}-3-oxo-2H,3H,5H,6H,7H,8H-pyrido[4,3-c]pyridazine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound S349-0399
ethyl 2-{[(5-chloro-2-methylphenyl)carbamoyl]methyl}-3-oxo-2H,3H,5H,6H,7H,8H-pyrido[4,3-c]pyridazine-6-carboxylate

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

S349-0399

Molecular Formula

C19H21ClN4O4 (C19 H21 ClN4 O4)

Compound Name

ethyl 2-{[(5-chloro-2-methylphenyl)carbamoyl]methyl}-3-oxo-2H,3H,5H,6H,7H,8H-pyrido[4,3-c]pyridazine-6-carboxylate

IUPAC name

ethyl 2-{[(5-chloro-2-methylphenyl)carbamoyl]methyl}-3-oxo-2H3H5H6H7H8H-pyrido[43-c]pyridazine-6-carboxylate

SMILES

CCOC(N(CCC1=NN2CC(Nc3c(C)ccc(Cl)c3)=O)CC1=CC2=O)=O

InChI

InChI=1S/C19H21ClN4O4/c1-3-28-19(27)23-7-6-15-13(10-23)8-18(26)24(22-15)11-17(25)21-16-9-14(20)5-4-12(16)2/h4-5,8-9H,3,6-7,10-11H2,1-2H3,(H,21,25)

InChI Key

QSIPULGMSFAAAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28122338

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.85

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.055

Distribution Coefficient, logD

2.055

Water Solubility, LogSw

-3.12

Polar Surface Area

73.398

Acid Dissociation Constant (pKa)

10.97

Base Dissociation Constant (pKb)

0.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

S349-0399 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S349-0399 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S349-0399?
Check Price and Availability of S349-0399, 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 S349-0399 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S349-0399
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S349-0399
  • 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 S349-0399 available by request