5451-0813 Screening compound: 1-(2,3,5-trifluoro-6-morpholino-4-pyridyl)dihydro-1H-pyrrole-2,5-dione

5451-0813 Screening compound: 1-(2,3,5-trifluoro-6-morpholino-4-pyridyl)dihydro-1H-pyrrole-2,5-dione
5451-0813 Screening compound: 1-(2,3,5-trifluoro-6-morpholino-4-pyridyl)dihydro-1H-pyrrole-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5451-0813
1-(2,3,5-trifluoro-6-morpholino-4-pyridyl)dihydro-1H-pyrrole-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

5451-0813

Molecular Formula

C13H12F3N3O3 (C13 H12 F3 N3 O3)

Compound Name

1-(2,3,5-trifluoro-6-morpholino-4-pyridyl)dihydro-1H-pyrrole-2,5-dione

IUPAC name

n/a

SMILES

O=C(CCC1=O)N1c(c(F)c(N1CCOCC1)nc1F)c1F

InChI

InChI=1S/C13H12F3N3O3/c14-9-11(19-7(20)1-2-8(19)21)10(15)13(17-12(9)16)18-3-5-22-6-4-18/h1-6H2

InChI Key

HUIBXFJJXZBSOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09852239

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.25

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.682

Distribution Coefficient, logD

0.682

Water Solubility, LogSw

-0.50

Polar Surface Area

51.667

Acid Dissociation Constant (pKa)

17.41

Base Dissociation Constant (pKb)

-3.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

5451-0813 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 5451-0813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5451-0813?
Check Price and Availability of 5451-0813, 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 5451-0813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5451-0813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5451-0813
  • 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 5451-0813 available by request