8139-0378 Screening compound: 3-{[1-(6-CHLOROPYRIDAZIN-3-YL)PIPERIDIN-4-YL]AMINO}-1-(4-FLUOROPHENYL)PYRROLIDINE-2,5-DIONE

8139-0378 Screening compound: 3-{[1-(6-CHLOROPYRIDAZIN-3-YL)PIPERIDIN-4-YL]AMINO}-1-(4-FLUOROPHENYL)PYRROLIDINE-2,5-DIONE
8139-0378 Screening compound: 3-{[1-(6-CHLOROPYRIDAZIN-3-YL)PIPERIDIN-4-YL]AMINO}-1-(4-FLUOROPHENYL)PYRROLIDINE-2,5-DIONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 8139-0378
3-{[1-(6-CHLOROPYRIDAZIN-3-YL)PIPERIDIN-4-YL]AMINO}-1-(4-FLUOROPHENYL)PYRROLIDINE-2,5-DIONE

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

8139-0378

Molecular Formula

C19H19ClFN5O2 (C19 H19 ClFN5 O2)

Compound Name

3-{[1-(6-CHLOROPYRIDAZIN-3-YL)PIPERIDIN-4-YL]AMINO}-1-(4-FLUOROPHENYL)PYRROLIDINE-2,5-DIONE

IUPAC name

n/a

SMILES

O=C(CC(C1=O)NC(CC2)CCN2c(cc2)nnc2Cl)N1c(cc1)ccc1F

InChI

InChI=1S/C19H19ClFN5O2/c20-16-5-6-17(24-23-16)25-9-7-13(8-10-25)22-15-11-18(27)26(19(15)28)14-3-1-12(21)2-4-14/h1-6,13,15,22H,7-11H2/t15-/m0/s1

InChI Key

RCUVCDVVGNIPIR-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD06617667

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.84

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.229

Distribution Coefficient, logD

1.228

Water Solubility, LogSw

-2.51

Polar Surface Area

64.968

Acid Dissociation Constant (pKa)

17.24

Base Dissociation Constant (pKb)

4.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

8139-0378 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8139-0378 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8139-0378?
Check Price and Availability of 8139-0378, 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 8139-0378 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8139-0378
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8139-0378
  • 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 8139-0378 available by request