L702-0025 Screening compound: 1-{[benzyl(methyl)carbamoyl]methyl}-6-oxo-N-phenyl-1,6-dihydropyridazine-3-carboxamide

L702-0025 Screening compound: 1-{[benzyl(methyl)carbamoyl]methyl}-6-oxo-N-phenyl-1,6-dihydropyridazine-3-carboxamide
L702-0025 Screening compound: 1-{[benzyl(methyl)carbamoyl]methyl}-6-oxo-N-phenyl-1,6-dihydropyridazine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L702-0025
1-{[benzyl(methyl)carbamoyl]methyl}-6-oxo-N-phenyl-1,6-dihydropyridazine-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

L702-0025

Molecular Formula

C21H20N4O3 (C21 H20 N4 O3)

Compound Name

1-{[benzyl(methyl)carbamoyl]methyl}-6-oxo-N-phenyl-1,6-dihydropyridazine-3-carboxamide

IUPAC name

1-{[benzyl(methyl)carbamoyl]methyl}-6-oxo-N-phenyl-16-dihydropyridazine-3-carboxamide

SMILES

CN(Cc1ccccc1)C(CN(C(C=C1)=O)N=C1C(Nc1ccccc1)=O)=O

InChI

InChI=1S/C21H20N4O3/c1-24(14-16-8-4-2-5-9-16)20(27)15-25-19(26)13-12-18(23-25)21(28)22-17-10-6-3-7-11-17/h2-13H,14-15H2,1H3,(H,22,28)

InChI Key

BALUDDXQPGVAPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27471055

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.184

Distribution Coefficient, logD

2.178

Water Solubility, LogSw

-2.76

Polar Surface Area

67.805

Acid Dissociation Constant (pKa)

9.21

Base Dissociation Constant (pKb)

-1.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

L702-0025 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L702-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L702-0025?
Check Price and Availability of L702-0025, 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 L702-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L702-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L702-0025
  • 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 L702-0025 available by request