L702-0081 Screening compound: 1-{[(3-bromophenyl)carbamoyl]methyl}-6-oxo-N-phenyl-1,6-dihydropyridazine-3-carboxamide

L702-0081 Screening compound: 1-{[(3-bromophenyl)carbamoyl]methyl}-6-oxo-N-phenyl-1,6-dihydropyridazine-3-carboxamide
L702-0081 Screening compound: 1-{[(3-bromophenyl)carbamoyl]methyl}-6-oxo-N-phenyl-1,6-dihydropyridazine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L702-0081
1-{[(3-bromophenyl)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

L702-0081

Molecular Formula

C19H15BrN4O3 (C19 H15 BrN4 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN(C(C=C1)=O)N=C1C(Nc1ccccc1)=O)Nc1cccc(Br)c1

InChI

InChI=1S/C19H15BrN4O3/c20-13-5-4-8-15(11-13)21-17(25)12-24-18(26)10-9-16(23-24)19(27)22-14-6-2-1-3-7-14/h1-11H,12H2,(H,21,25)(H,22,27)

InChI Key

JYMVJQBKEORGTR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27471061

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.26

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.052

Distribution Coefficient, logD

3.045

Water Solubility, LogSw

-3.39

Polar Surface Area

75.060

Acid Dissociation Constant (pKa)

9.21

Base Dissociation Constant (pKb)

-1.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

L702-0081 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with L702-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L702-0081?
Check Price and Availability of L702-0081, 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 L702-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L702-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L702-0081
  • 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 L702-0081 available by request