8017-2389 Screening compound: N~3~-(3-chloro-4-fluorophenyl)-3-pyridazinecarboxamide

8017-2389 Screening compound: N~3~-(3-chloro-4-fluorophenyl)-3-pyridazinecarboxamide
8017-2389 Screening compound: N~3~-(3-chloro-4-fluorophenyl)-3-pyridazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-2389
N~3~-(3-chloro-4-fluorophenyl)-3-pyridazinecarboxamide

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

8017-2389

Molecular Formula

C11H7ClFN3O (C11 H7 ClFN3 O)

Compound Name

N~3~-(3-chloro-4-fluorophenyl)-3-pyridazinecarboxamide

IUPAC name

N-(3-chloro-4-fluorophenyl)pyridazine-3-carboxamide

SMILES

O=C(c1nnccc1)Nc(cc1)cc(Cl)c1F

InChI

InChI=1S/C11H7ClFN3O/c12-8-6-7(3-4-9(8)13)15-11(17)10-2-1-5-14-16-10/h1-6H,(H,15,17)

InChI Key

KEQAINSGKDYSGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06015196

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

251.65

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.774

Distribution Coefficient, logD

1.264

Water Solubility, LogSw

-2.73

Polar Surface Area

45.913

Acid Dissociation Constant (pKa)

7.05

Base Dissociation Constant (pKb)

2.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8017-2389 in Drug Discovery

Included in Screening Libraries

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

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8017-2389 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-2389?
Check Price and Availability of 8017-2389, 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 8017-2389 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-2389
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-2389
  • 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 8017-2389 available by request